95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.080788377203
  N      -3.622057     -3.554350      2.142430
  C      -3.158072     -4.433726      1.093194
  C      -2.646735     -5.740090      1.703975
  N      -3.507972     -6.151642      2.806710
  C      -4.737820     -6.772000      2.327325
  C      -5.845877     -6.622469      3.373314
  N      -5.814667     -5.281339      3.914478
  Mo     -4.055154     -4.417486      3.844382
  N      -2.518494     -4.901013      4.976910
  C      -1.884354     -6.158792      4.649256
  C      -2.803454     -6.999773      3.758894
  H      -1.658396     -6.757426      5.544607
  H      -0.919141     -5.993185      4.130980
  H      -3.555619     -7.463521      4.400166
  H      -2.235157     -7.794719      3.250031
  H      -6.803153     -6.850892      2.882593
  H      -5.710722     -7.377635      4.169950
  H      -5.049283     -6.225074      1.433303
  H      -4.577821     -7.829129      2.062685
  H      -2.333179     -3.991629      0.516502
  H      -3.969814     -4.650582      0.371447
  H      -1.655991     -5.547952      2.119496
  H      -2.565214     -6.530113      0.941020
  C      -3.907940     -1.792817      0.371384
  C      -3.610476     -2.154093      1.834242
  C      -2.289487     -1.447572      2.307366
  C      -1.050790     -2.072425      1.762517
  C      -0.472962     -3.145841      2.437352
  C       0.657527     -3.765345      1.942393
  C       1.247236     -3.325423      0.760686
  C       2.481670     -3.978345      0.238659
  Cl      3.954000     -3.184506      0.943253
  C       0.682649     -2.242229      0.094839
  C      -0.450859     -1.625069      0.589182
  C      -7.896559     -5.643932      5.253335
  C      -7.091681     -4.753703      4.292569
  C      -7.956390     -4.394301      3.038038
  C      -8.999846     -3.377801      3.359035
  C     -10.309135     -3.744499      3.654081
  C     -11.255723     -2.793784      3.985926
  C     -10.920213     -1.444772      4.029611
  C     -11.938930     -0.420266      4.398420
  Cl    -11.974012     -0.200223      6.198451
  C      -9.610734     -1.072802      3.741371
  C      -8.668787     -2.026206      3.409474
  C      -0.534106     -4.451802      6.457582
  C      -2.027183     -4.246880      6.156398
  C      -2.873771     -4.594922      7.436968
  C      -3.117709     -6.056576      7.591043
  C      -2.315350     -6.861926      8.393374
  C      -2.544964     -8.221698      8.484048
  C      -3.594021     -8.809628      7.784367
  C      -3.826119    -10.280343      7.854237
  Cl     -2.940848    -11.104217      6.500885
  C      -4.402568     -8.004379      6.987675
  C      -4.170125     -6.646121      6.892638
  H      -4.813714     -2.297594      0.041432
  H      -4.063025     -0.719418      0.283268
  H      -3.091982     -2.076859     -0.287715
  H      -4.409041     -1.697675      2.438964
  H      -2.344877     -0.395249      2.023511
  H      -2.266828     -1.527452      3.397044
  H      -0.938878     -3.493115      3.350967
  H       1.099330     -4.597064      2.474604
  H       2.580985     -3.871606     -0.840413
  H       2.549050     -5.025872      0.528360
  H       1.139344     -1.881370     -0.816214
  H      -0.871677     -0.781903      0.059595
  H      -8.788069     -5.116650      5.585737
  H      -8.201466     -6.570698      4.772271
  H      -7.293107     -5.889471      6.125201
  H      -6.889368     -3.808386      4.814506
  H      -7.263264     -3.997947      2.290295
  H      -8.421122     -5.299598      2.644993
  H     -10.592873     -4.786649      3.615831
  H     -12.268499     -3.098034      4.209905
  H     -11.706069      0.560596      3.987252
  H     -12.947442     -0.722808      4.120890
  H      -9.335927     -0.027983      3.771746
  H      -7.658810     -1.724663      3.168201
  H      -0.225964     -3.776099      7.252987
  H       0.063078     -4.230910      5.575265
  H      -0.324846     -5.470915      6.772426
  H      -2.170948     -3.165657      5.998849
  H      -3.838398     -4.093888      7.329558
  H      -2.358715     -4.192829      8.310578
  H      -1.501202     -6.420503      8.951254
  H      -1.908338     -8.835919      9.105652
  H      -4.874279    -10.542481      7.718836
  H      -3.435532    -10.720020      8.770470
  H      -5.222171     -8.455148      6.444436
  H      -4.788136     -6.021517      6.256311
  N      -4.597230     -2.642888      4.890258
  H      -5.502427     -2.163480      4.831416
  H      -3.997883     -2.121036      5.539202
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.097967011826
  N      -3.605630     -3.559296      2.119878
  C      -3.133937     -4.443284      1.052939
  C      -2.621586     -5.752806      1.652264
  N      -3.503174     -6.182245      2.759475
  C      -4.748467     -6.803230      2.258662
  C      -5.860375     -6.658297      3.299613
  N      -5.830822     -5.307373      3.860000
  Mo     -4.067780     -4.424771      3.822668
  N      -2.539198     -4.939783      4.970152
  C      -1.888259     -6.204473      4.626542
  C      -2.796100     -7.046064      3.727327
  H      -1.662959     -6.813204      5.517509
  H      -0.917645     -6.029282      4.116712
  H      -3.553128     -7.524757      4.362299
  H      -2.220279     -7.837486      3.214235
  H      -6.817634     -6.880975      2.798255
  H      -5.737842     -7.426312      4.089803
  H      -5.050599     -6.247011      1.361026
  H      -4.585954     -7.860870      1.983281
  H      -2.303259     -3.998177      0.482109
  H      -3.940370     -4.653743      0.320020
  H      -1.625923     -5.564942      2.075137
  H      -2.533948     -6.539835      0.881628
  C      -3.906392     -1.783678      0.361763
  C      -3.597527     -2.136536      1.825534
  C      -2.283949     -1.422153      2.307299
  C      -1.022700     -2.025343      1.765887
  C      -0.409969     -3.088279      2.447066
  C       0.726986     -3.702413      1.935752
  C       1.293606     -3.265923      0.733242
  C       2.522541     -3.920157      0.193450
  Cl      4.030681     -3.128752      0.852265
  C       0.703430     -2.188126      0.064373
  C      -0.437348     -1.576267      0.575181
  C      -7.919738     -5.665524      5.199224
  C      -7.117653     -4.764866      4.246293
  C      -7.976853     -4.371426      2.995826
  C      -9.022175     -3.349366      3.329061
  C     -10.347117     -3.711518      3.602095
  C     -11.294058     -2.754181      3.952792
  C     -10.943185     -1.403075      4.039939
  C     -11.956386     -0.376166      4.429869
  Cl    -12.023358     -0.183301      6.243706
  C      -9.620579     -1.034439      3.768987
  C      -8.677754     -1.993574      3.417756
  C      -0.548554     -4.480244      6.434891
  C      -2.048418     -4.276144      6.167804
  C      -2.873197     -4.610068      7.472409
  C      -3.126530     -6.072938      7.680134
  C      -2.265430     -6.877570      8.436770
  C      -2.484578     -8.247421      8.552326
  C      -3.586466     -8.845500      7.931513
  C      -3.800008    -10.321031      8.005323
  Cl     -3.034981    -11.143443      6.564095
  C      -4.470102     -8.039314      7.206760
  C      -4.245005     -6.674003      7.082375
  H      -4.819514     -2.297077      0.031377
  H      -4.069467     -0.702553      0.273682
  H      -3.087342     -2.063039     -0.313043
  H      -4.395384     -1.686415      2.436772
  H      -2.355467     -0.362307      2.024297
  H      -2.271334     -1.496589      3.403756
  H      -0.856578     -3.437566      3.379420
  H       1.191729     -4.531700      2.473285
  H       2.596218     -3.828269     -0.894733
  H       2.590784     -4.971480      0.491445
  H       1.144935     -1.827712     -0.866594
  H      -0.884319     -0.738291      0.037954
  H      -8.817610     -5.138008      5.543386
  H      -8.232578     -6.594683      4.703963
  H      -7.312086     -5.925383      6.076018
  H      -6.908042     -3.827681      4.784490
  H      -7.275311     -3.962666      2.254024
  H      -8.447597     -5.271188      2.574084
  H     -10.642949     -4.759662      3.531894
  H     -12.322027     -3.056735      4.160660
  H     -11.709725      0.616010      4.039068
  H     -12.969604     -0.660721      4.128907
  H      -9.333026      0.016613      3.831359
  H      -7.652056     -1.691423      3.195074
  H      -0.225223     -3.799284      7.231436
  H       0.040142     -4.256131      5.535636
  H      -0.326058     -5.507526      6.749393
  H      -2.191811     -3.193468      6.012483
  H      -3.839476     -4.092928      7.390857
  H      -2.321747     -4.191872      8.325983
  H      -1.400812     -6.427490      8.927465
  H      -1.791104     -8.863955      9.127148
  H      -4.860140    -10.590481      7.963443
  H      -3.328336    -10.768021      8.885945
  H      -5.339984     -8.497144      6.730926
  H      -4.927111     -6.053034      6.500501
  N      -4.621975     -2.683116      4.883381
  H      -5.522247     -2.205575      4.822266
  H      -4.034803     -2.170239      5.542073
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.101857369312
  N      -3.582769     -3.550060      2.099789
  C      -3.102311     -4.467462      1.042001
  C      -2.593552     -5.764274      1.667963
  N      -3.495480     -6.177449      2.788517
  C      -4.752083     -6.816672      2.284206
  C      -5.864474     -6.654797      3.319328
  N      -5.838115     -5.281520      3.864984
  Mo     -4.079533     -4.352153      3.839401
  N      -2.547458     -4.889966      4.999323
  C      -1.886304     -6.171676      4.675252
  C      -2.789886     -7.031344      3.792173
  H      -1.667939     -6.765168      5.579755
  H      -0.910830     -6.003709      4.172350
  H      -3.559150     -7.496384      4.426953
  H      -2.215679     -7.835983      3.296080
  H      -6.823129     -6.884283      2.819048
  H      -5.750480     -7.412689      4.121877
  H      -5.041756     -6.276612      1.369954
  H      -4.579982     -7.878411      2.026991
  H      -2.264278     -4.034102      0.469678
  H      -3.901235     -4.686288      0.303613
  H      -1.599889     -5.574553      2.101021
  H      -2.499632     -6.569972      0.915928
  C      -3.874734     -1.816495      0.300670
  C      -3.561621     -2.117338      1.773122
  C      -2.246389     -1.416340      2.248158
  C      -0.978553     -2.043760      1.737901
  C      -0.369920     -3.094526      2.453778
  C       0.770393     -3.732744      1.963615
  C       1.345798     -3.335437      0.745344
  C       2.572613     -4.013379      0.228521
  Cl      4.106707     -3.223744      0.854016
  C       0.759089     -2.273425      0.038387
  C      -0.384233     -1.637030      0.529664
  C      -7.914219     -5.647391      5.220325
  C      -7.136517     -4.735436      4.262785
  C      -7.998982     -4.337433      3.020276
  C      -9.063905     -3.331736      3.362286
  C     -10.393245     -3.713517      3.616179
  C     -11.356516     -2.770362      3.984245
  C     -11.017957     -1.413839      4.110100
  C     -12.043526     -0.405597      4.515979
  Cl    -12.143526     -0.233595      6.340245
  C      -9.692627     -1.024520      3.854677
  C      -8.733101     -1.968886      3.485581
  C      -0.569034     -4.408252      6.474911
  C      -2.069964     -4.214162      6.211645
  C      -2.918180     -4.576819      7.481213
  C      -3.157012     -6.051266      7.650055
  C      -2.299790     -6.864657      8.412800
  C      -2.494753     -8.247395      8.487075
  C      -3.560897     -8.855881      7.805784
  C      -3.752974    -10.336571      7.850534
  Cl     -2.918669    -11.162223      6.435800
  C      -4.437520     -8.046032      7.065427
  C      -4.240160     -6.666709      6.990622
  H      -4.799897     -2.330093     -0.011704
  H      -4.025434     -0.732148      0.174316
  H      -3.062604     -2.127332     -0.377582
  H      -4.350350     -1.646117      2.379392
  H      -2.304278     -0.357893      1.939914
  H      -2.253237     -1.455229      3.349769
  H      -0.817905     -3.415633      3.400297
  H       1.231390     -4.548312      2.534272
  H       2.645316     -3.959759     -0.865068
  H       2.631473     -5.058973      0.557111
  H       1.208060     -1.941737     -0.905181
  H      -0.827527     -0.809736     -0.035998
  H      -8.822298     -5.134405      5.576037
  H      -8.222422     -6.584794      4.725214
  H      -7.295847     -5.903203      6.096760
  H      -6.925460     -3.799790      4.804206
  H      -7.303220     -3.908261      2.280253
  H      -8.456932     -5.240022      2.578296
  H     -10.678124     -4.767499      3.517489
  H     -12.387699     -3.088930      4.177110
  H     -11.804389      0.598537      4.143502
  H     -13.053774     -0.691742      4.196947
  H      -9.414476      0.032091      3.945482
  H      -7.703794     -1.648466      3.280851
  H      -0.252064     -3.733892      7.286297
  H       0.026427     -4.165601      5.578310
  H      -0.331386     -5.441077      6.778054
  H      -2.226343     -3.132234      6.065178
  H      -3.888468     -4.063384      7.382259
  H      -2.394452     -4.163484      8.360267
  H      -1.464190     -6.406872      8.954467
  H      -1.810578     -8.865842      9.079641
  H      -4.809183    -10.622036      7.765516
  H      -3.314388    -10.787140      8.749665
  H      -5.284614     -8.508336      6.544004
  H      -4.923170     -6.046216      6.403097
  N      -4.643986     -2.627205      4.874946
  H      -5.541807     -2.150206      4.800406
  H      -4.065175     -2.104743      5.531084
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.103470874920
  N      -3.558776     -3.532348      2.092700
  C      -3.082264     -4.443083      1.034663
  C      -2.587801     -5.745088      1.655741
  N      -3.500618     -6.163965      2.759154
  C      -4.753907     -6.786944      2.239984
  C      -5.871304     -6.630524      3.266358
  N      -5.842987     -5.267681      3.822487
  Mo     -4.084282     -4.332753      3.825375
  N      -2.567024     -4.905992      4.990323
  C      -1.908790     -6.180129      4.652896
  C      -2.812784     -7.025845      3.761870
  H      -1.690966     -6.781078      5.551551
  H      -0.934847     -6.004721      4.152578
  H      -3.592358     -7.486997      4.382993
  H      -2.243075     -7.830804      3.263551
  H      -6.827824     -6.846840      2.758237
  H      -5.769632     -7.394556      4.062948
  H      -5.026624     -6.236265      1.328498
  H      -4.582772     -7.845493      1.974354
  H      -2.238008     -4.009715      0.473073
  H      -3.878374     -4.647186      0.291154
  H      -1.601033     -5.568216      2.104787
  H      -2.490926     -6.545855      0.900670
  C      -3.838812     -1.776948      0.316555
  C      -3.521570     -2.097293      1.781465
  C      -2.197448     -1.425157      2.263034
  C      -0.939714     -2.060585      1.743940
  C      -0.336566     -3.118444      2.449791
  C       0.793817     -3.763301      1.949698
  C       1.363050     -3.367042      0.729461
  C       2.577587     -4.052927      0.198861
  Cl      4.124295     -3.278708      0.811274
  C       0.779430     -2.299536      0.031085
  C      -0.353054     -1.656424      0.532997
  C      -7.923864     -5.647672      5.160153
  C      -7.138970     -4.722128      4.224355
  C      -7.988997     -4.296793      2.987051
  C      -9.071246     -3.318470      3.347650
  C     -10.399328     -3.723620      3.558214
  C     -11.378054     -2.808549      3.948789
  C     -11.056522     -1.457227      4.141909
  C     -12.099054     -0.478700      4.568992
  Cl    -12.235471     -0.383086      6.396402
  C      -9.732237     -1.044524      3.929329
  C      -8.757429     -1.960885      3.537396
  C      -0.575274     -4.423928      6.441319
  C      -2.077042     -4.227800      6.196135
  C      -2.916677     -4.570333      7.475319
  C      -3.157691     -6.037555      7.680975
  C      -2.268217     -6.845431      8.408746
  C      -2.462236     -8.225090      8.504217
  C      -3.563352     -8.835135      7.885346
  C      -3.753379    -10.313267      7.948320
  Cl     -3.006765    -11.148681      6.490991
  C      -4.479467     -8.027398      7.194163
  C      -4.280038     -6.651885      7.094807
  H      -4.772265     -2.270725      0.005842
  H      -3.972142     -0.690749      0.200171
  H      -3.039008     -2.092683     -0.370108
  H      -4.301905     -1.628391      2.399852
  H      -2.238681     -0.362404      1.971905
  H      -2.204784     -1.476403      3.362828
  H      -0.779676     -3.440638      3.395990
  H       1.250354     -4.582539      2.513589
  H       2.641492     -3.995653     -0.893748
  H       2.633736     -5.098821      0.522092
  H       1.222888     -1.968683     -0.912362
  H      -0.793284     -0.825232     -0.024553
  H      -8.836374     -5.144264      5.513030
  H      -8.225128     -6.576945      4.650850
  H      -7.316623     -5.914304      6.038337
  H      -6.922128     -3.798966      4.783534
  H      -7.292228     -3.834823      2.270056
  H      -8.427743     -5.188241      2.508858
  H     -10.669877     -4.772596      3.407682
  H     -12.406858     -3.144608      4.106745
  H     -11.865028      0.541769      4.244873
  H     -13.099470     -0.760475      4.221118
  H      -9.467411      0.007104      4.071844
  H      -7.730341     -1.622195      3.368587
  H      -0.245578     -3.748796      7.244959
  H       0.008292     -4.187130      5.538553
  H      -0.335133     -5.453410      6.745489
  H      -2.230210     -3.147465      6.039168
  H      -3.884640     -4.055834      7.376024
  H      -2.388353     -4.141673      8.342527
  H      -1.405155     -6.386830      8.899365
  H      -1.749814     -8.839727      9.061682
  H      -4.811273    -10.599001      7.927199
  H      -3.262107    -10.760977      8.819534
  H      -5.354586     -8.487604      6.725178
  H      -4.993498     -6.035147      6.543582
  N      -4.647541     -2.631239      4.876595
  H      -5.540273     -2.143346      4.794142
  H      -4.067048     -2.113503      5.537082
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104401989758
  N      -3.528455     -3.547426      2.084073
  C      -3.059656     -4.471922      1.046503
  C      -2.580771     -5.765866      1.689120
  N      -3.505162     -6.167657      2.779499
  C      -4.757474     -6.774616      2.260319
  C      -5.876737     -6.602652      3.277521
  N      -5.839139     -5.244436      3.820081
  Mo     -4.080606     -4.304202      3.827240
  N      -2.579385     -4.898804      5.003363
  C      -1.932713     -6.172298      4.679865
  C      -2.844275     -7.016016      3.801193
  H      -1.719143     -6.762740      5.586203
  H      -0.958487     -6.006581      4.177961
  H      -3.639851     -7.449686      4.419978
  H      -2.286635     -7.840265      3.321349
  H      -6.833778     -6.808862      2.767224
  H      -5.789316     -7.361612      4.079865
  H      -5.013091     -6.227804      1.342658
  H      -4.592467     -7.836009      2.003052
  H      -2.211275     -4.049982      0.483269
  H      -3.856127     -4.677182      0.304618
  H      -1.600811     -5.593475      2.151239
  H      -2.480470     -6.577343      0.946317
  C      -3.822016     -1.813102      0.294420
  C      -3.492202     -2.116508      1.757233
  C      -2.167917     -1.442672      2.229711
  C      -0.909122     -2.079337      1.722159
  C      -0.292868     -3.107390      2.454296
  C       0.837875     -3.757027      1.966921
  C       1.393408     -3.395247      0.731566
  C       2.604843     -4.088938      0.209334
  Cl      4.151753     -3.285506      0.780714
  C       0.795993     -2.355299      0.006301
  C      -0.336008     -1.707390      0.496535
  C      -7.919309     -5.600039      5.164601
  C      -7.125293     -4.683930      4.229355
  C      -7.968464     -4.244761      2.996828
  C      -9.070918     -3.294825      3.367441
  C     -10.396464     -3.721646      3.532093
  C     -11.392968     -2.834117      3.933876
  C     -11.092314     -1.488929      4.184505
  C     -12.154620     -0.539178      4.620567
  Cl    -12.330135     -0.506781      6.446786
  C      -9.770149     -1.054621      4.017222
  C      -8.777792     -1.943701      3.614376
  C      -0.598174     -4.398269      6.463696
  C      -2.097010     -4.211546      6.205531
  C      -2.954343     -4.556000      7.467036
  C      -3.185270     -6.023508      7.664434
  C      -2.286276     -6.831678      8.376595
  C      -2.463853     -8.212484      8.449264
  C      -3.555810     -8.825069      7.819926
  C      -3.727564    -10.303814      7.860667
  Cl     -2.973655    -11.108433      6.390297
  C      -4.481257     -8.017640      7.144353
  C      -4.298757     -6.639899      7.069943
  H      -4.760744     -2.303206      0.001330
  H      -3.948330     -0.729160      0.161481
  H      -3.034400     -2.142983     -0.396685
  H      -4.270268     -1.648719      2.379551
  H      -2.205453     -0.382548      1.931116
  H      -2.176825     -1.478849      3.329220
  H      -0.727248     -3.406582      3.410126
  H       1.302554     -4.553762      2.552221
  H       2.658860     -4.064035     -0.884012
  H       2.675609     -5.122949      0.562928
  H       1.228428     -2.050747     -0.948844
  H      -0.787610     -0.898573     -0.080943
  H      -8.831071     -5.093839      5.511022
  H      -8.223864     -6.528514      4.660128
  H      -7.320212     -5.866089      6.046004
  H      -6.889671     -3.766464      4.790171
  H      -7.274670     -3.754246      2.297473
  H      -8.384783     -5.129796      2.490622
  H     -10.649827     -4.765605      3.336797
  H     -12.419170     -3.186495      4.055955
  H     -11.928306      0.494283      4.338467
  H     -13.144230     -0.820110      4.245386
  H      -9.521212     -0.007924      4.203444
  H      -7.753628     -1.587413      3.481141
  H      -0.278412     -3.727966      7.273796
  H      -0.009341     -4.152496      5.569448
  H      -0.351856     -5.425648      6.763391
  H      -2.255555     -3.133397      6.038396
  H      -3.922904     -4.050398      7.344268
  H      -2.454989     -4.121056      8.347430
  H      -1.430775     -6.371648      8.874981
  H      -1.745282     -8.826644      8.995605
  H      -4.780156    -10.604363      7.835317
  H      -3.228049    -10.760310      8.721263
  H      -5.348384     -8.478352      6.665832
  H      -5.019066     -6.023915      6.529307
  N      -4.635833     -2.614055      4.867205
  H      -5.520029     -2.112485      4.767783
  H      -4.047490     -2.085964      5.513560
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104544416656
  N      -3.514062     -3.525697      2.097002
  C      -3.042605     -4.443518      1.056906
  C      -2.562151     -5.738560      1.696299
  N      -3.488290     -6.149147      2.780609
  C      -4.739104     -6.753412      2.258255
  C      -5.860781     -6.587657      3.274636
  N      -5.824418     -5.233583      3.823420
  Mo     -4.069893     -4.283580      3.838327
  N      -2.572801     -4.888124      5.015173
  C      -1.921839     -6.156586      4.686246
  C      -2.831049     -6.998039      3.803324
  H      -1.704450     -6.750803      5.589557
  H      -0.947936     -5.985617      4.183781
  H      -3.628650     -7.430818      4.420304
  H      -2.273148     -7.824332      3.325402
  H      -6.817046     -6.791010      2.760604
  H      -5.775652     -7.352699      4.072420
  H      -4.995144     -6.202862      1.342595
  H      -4.573518     -7.814082      1.994891
  H      -2.194191     -4.016946      0.496117
  H      -3.837780     -4.647863      0.312410
  H      -1.584144     -5.563521      2.162816
  H      -2.454049     -6.546600      0.949672
  C      -3.812935     -1.774679      0.323549
  C      -3.472846     -2.092212      1.780802
  C      -2.136092     -1.440259      2.245582
  C      -0.894971     -2.096513      1.719640
  C      -0.302128     -3.153672      2.428943
  C       0.810443     -3.822018      1.924621
  C       1.370089     -3.450463      0.694254
  C       2.564089     -4.161276      0.155103
  Cl      4.129789     -3.400070      0.733891
  C       0.793714     -2.384410     -0.010319
  C      -0.320632     -1.718757      0.496083
  C      -7.910436     -5.589278      5.161298
  C      -7.110651     -4.671505      4.232318
  C      -7.948386     -4.226148      2.998294
  C      -9.067826     -3.295725      3.368738
  C     -10.390866     -3.739885      3.505081
  C     -11.403806     -2.869906      3.904387
  C     -11.122750     -1.525232      4.180164
  C     -12.202844     -0.594432      4.613741
  Cl    -12.403961     -0.590219      6.437941
  C      -9.802969     -1.073591      4.041240
  C      -8.794217     -1.945306      3.641095
  C      -0.595451     -4.389499      6.481124
  C      -2.093088     -4.200967      6.219143
  C      -2.957532     -4.543592      7.477191
  C      -3.191734     -6.010852      7.673531
  C      -2.297299     -6.822480      8.387943
  C      -2.477971     -8.203063      8.455828
  C      -3.568335     -8.812088      7.819541
  C      -3.740385    -10.291058      7.851416
  Cl     -2.980678    -11.085152      6.377992
  C      -4.489691     -8.001092      7.142927
  C      -4.303880     -6.623402      7.073068
  H      -4.763328     -2.247791      0.038575
  H      -3.922251     -0.688002      0.196079
  H      -3.038548     -2.114789     -0.378222
  H      -4.240985     -1.623642      2.414921
  H      -2.157414     -0.375971      1.958996
  H      -2.135236     -1.487669      3.344992
  H      -0.742528     -3.462670      3.379309
  H       1.257140     -4.641505      2.492996
  H       2.615163     -4.118586     -0.938053
  H       2.615260     -5.202569      0.490909
  H       1.229363     -2.073445     -0.962451
  H      -0.755669     -0.889089     -0.065048
  H      -8.825864     -5.085257      5.501653
  H      -8.210438     -6.518380      4.654368
  H      -7.317417     -5.855227      6.047361
  H      -6.873872     -3.757161      4.797734
  H      -7.254489     -3.717336      2.311582
  H      -8.346960     -5.110185      2.475518
  H     -10.628687     -4.783976      3.289679
  H     -12.428144     -3.235596      4.004942
  H     -11.985624      0.446058      4.350132
  H     -13.184158     -0.882012      4.221578
  H      -9.569084     -0.026679      4.247195
  H      -7.772289     -1.574775      3.527526
  H      -0.277415     -3.726041      7.297825
  H      -0.004081     -4.136308      5.590178
  H      -0.349106     -5.419563      6.772826
  H      -2.249390     -3.122720      6.050781
  H      -3.925204     -4.038260      7.344389
  H      -2.467689     -4.106497      8.362340
  H      -1.443335     -6.365312      8.892399
  H      -1.762391     -8.820538      9.003257
  H      -4.792762    -10.592486      7.819643
  H      -3.243033    -10.753497      8.710350
  H      -5.355531     -8.458814      6.658199
  H      -5.019640     -6.004578      6.529049
  N      -4.630471     -2.609229      4.892452
  H      -5.509308     -2.100235      4.783381
  H      -4.032318     -2.065552      5.516521
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104689453442
  N      -3.508013     -3.538860      2.095551
  C      -3.049140     -4.458622      1.052000
  C      -2.572050     -5.756929      1.688936
  N      -3.493897     -6.163859      2.777571
  C      -4.752242     -6.759210      2.265411
  C      -5.868150     -6.585198      3.288962
  N      -5.818152     -5.231977      3.836980
  Mo     -4.059664     -4.287447      3.841673
  N      -2.563278     -4.906681      5.011718
  C      -1.918823     -6.176851      4.677902
  C      -2.837683     -7.013879      3.799760
  H      -1.694934     -6.773534      5.578320
  H      -0.947507     -6.010308      4.167024
  H      -3.634670     -7.437530      4.424079
  H      -2.288722     -7.848542      3.324324
  H      -6.828428     -6.781720      2.778685
  H      -5.785194     -7.353388      4.085007
  H      -5.013727     -6.208042      1.351277
  H      -4.597723     -7.821840      1.999893
  H      -2.204047     -4.037104      0.481863
  H      -3.851912     -4.661020      0.314067
  H      -1.590218     -5.584685      2.148900
  H      -2.468745     -6.564679      0.940173
  C      -3.829256     -1.798057      0.317321
  C      -3.478931     -2.105397      1.774465
  C      -2.145399     -1.436273      2.229213
  C      -0.898008     -2.085308      1.707661
  C      -0.286387     -3.119943      2.434284
  C       0.835600     -3.779903      1.938791
  C       1.386292     -3.421041      0.700674
  C       2.592190     -4.120057      0.171650
  Cl      4.143716     -3.318016      0.733682
  C       0.791327     -2.376396     -0.021079
  C      -0.332035     -1.719042      0.476360
  C      -7.907579     -5.561864      5.178201
  C      -7.097885     -4.654692      4.246732
  C      -7.931768     -4.205020      3.010972
  C      -9.060490     -3.283918      3.377625
  C     -10.383252     -3.735474      3.491878
  C     -11.405987     -2.873282      3.883689
  C     -11.135319     -1.529180      4.173463
  C     -12.226163     -0.607040      4.599948
  Cl    -12.446781     -0.616229      6.422078
  C      -9.815598     -1.070164      4.057101
  C      -8.797130     -1.934237      3.664356
  C      -0.576815     -4.422508      6.469223
  C      -2.073384     -4.220074      6.212337
  C      -2.938610     -4.550428      7.474649
  C      -3.184619     -6.015534      7.675671
  C      -2.297842     -6.833864      8.392684
  C      -2.491840     -8.212636      8.463256
  C      -3.587966     -8.812952      7.827585
  C      -3.770917    -10.291109      7.857490
  Cl     -3.016592    -11.084702      6.380781
  C      -4.501476     -7.994886      7.148975
  C      -4.302141     -6.618943      7.075825
  H      -4.782415     -2.273629      0.043724
  H      -3.938768     -0.712341      0.180597
  H      -3.059944     -2.145543     -0.387186
  H      -4.248846     -1.641016      2.409400
  H      -2.176263     -0.374275      1.934364
  H      -2.140579     -1.473882      3.329339
  H      -0.719265     -3.418081      3.392110
  H       1.296916     -4.582140      2.520828
  H       2.640898     -4.096149     -0.922411
  H       2.664277     -5.153949      0.526582
  H       1.220312     -2.075251     -0.979914
  H      -0.781057     -0.905295     -0.097739
  H      -8.820869     -5.049950      5.512845
  H      -8.212455     -6.492244      4.675446
  H      -7.319062     -5.827237      6.068083
  H      -6.851169     -3.741759      4.809936
  H      -7.236372     -3.688019      2.331226
  H      -8.320473     -5.089052      2.480000
  H     -10.612486     -4.779498      3.265069
  H     -12.430368     -3.244376      3.967443
  H     -12.012324      0.436765      4.345976
  H     -13.201732     -0.898201      4.195709
  H      -9.589858     -0.023358      4.274603
  H      -7.775482     -1.557498      3.565249
  H      -0.250228     -3.767830      7.289879
  H       0.013191     -4.167091      5.577192
  H      -0.337217     -5.457114      6.751882
  H      -2.219097     -3.140876      6.041612
  H      -3.902962     -4.039605      7.336124
  H      -2.448806     -4.111647      8.359219
  H      -1.439719     -6.383681      8.897276
  H      -1.781721     -8.836214      9.011838
  H      -4.825393    -10.585754      7.824624
  H      -3.275694    -10.759445      8.714717
  H      -5.371499     -8.445641      6.664059
  H      -5.010184     -5.994472      6.527582
  N      -4.605228     -2.618370      4.908992
  H      -5.472601     -2.092247      4.787834
  H      -3.984165     -2.053702      5.491052
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104732840600
  N      -3.505599     -3.537951      2.101104
  C      -3.048296     -4.459328      1.057623
  C      -2.574093     -5.758899      1.695624
  N      -3.497141     -6.163302      2.783607
  C      -4.757029     -6.755083      2.271724
  C      -5.873086     -6.577057      3.295655
  N      -5.819364     -5.223706      3.843881
  Mo     -4.058812     -4.284180      3.847091
  N      -2.566361     -4.905144      5.019868
  C      -1.923999     -6.177139      4.686684
  C      -2.843941     -7.013432      3.807582
  H      -1.701498     -6.775111      5.586480
  H      -0.952052     -6.013789      4.176124
  H      -3.641926     -7.433822      4.433371
  H      -2.296630     -7.850795      3.335759
  H      -6.832998     -6.772149      2.784695
  H      -5.791954     -7.345861      4.091005
  H      -5.019274     -6.203611      1.357951
  H      -4.607725     -7.818226      2.006134
  H      -2.202179     -4.041304      0.486939
  H      -3.850910     -4.661261      0.319512
  H      -1.591995     -5.586687      2.155292
  H      -2.470233     -6.565907      0.946527
  C      -3.825130     -1.796876      0.321667
  C      -3.474113     -2.104825      1.779028
  C      -2.137980     -1.436573      2.230014
  C      -0.893111     -2.088402      1.704602
  C      -0.280939     -3.124260      2.429647
  C       0.837818     -3.787004      1.930051
  C       1.384608     -3.429635      0.689735
  C       2.587639     -4.131061      0.156653
  Cl      4.141769     -3.329608      0.712154
  C       0.789528     -2.383678     -0.030096
  C      -0.330463     -1.723325      0.471319
  C      -7.912316     -5.547172      5.179577
  C      -7.097507     -4.641503      4.250761
  C      -7.927093     -4.188701      3.012751
  C      -9.061131     -3.272976      3.375833
  C     -10.383404     -3.729782      3.475808
  C     -11.412652     -2.873241      3.863238
  C     -11.148979     -1.530091      4.163752
  C     -12.246951     -0.614321      4.586606
  Cl    -12.480521     -0.634095      6.406999
  C      -9.829740     -1.065763      4.062084
  C      -8.804779     -1.924126      3.673073
  C      -0.581502     -4.422593      6.481898
  C      -2.077725     -4.219932      6.221786
  C      -2.942933     -4.554510      7.482906
  C      -3.181760     -6.021658      7.679730
  C      -2.290190     -6.837731      8.393496
  C      -2.477429     -8.217835      8.460230
  C      -3.571117     -8.821687      7.823690
  C      -3.746210    -10.301183      7.848237
  Cl     -2.989314    -11.083150      6.366531
  C      -4.488897     -8.006380      7.147492
  C      -4.296519     -6.629091      7.078047
  H      -4.781936     -2.266817      0.050730
  H      -3.927584     -0.710707      0.183546
  H      -3.059160     -2.151195     -0.382936
  H      -4.242699     -1.637374      2.413236
  H      -2.168249     -0.375087      1.934162
  H      -2.128785     -1.474093      3.330148
  H      -0.710439     -3.420383      3.389596
  H       1.299731     -4.590165      2.510359
  H       2.631829     -4.108459     -0.937619
  H       2.659434     -5.164583      0.512704
  H       1.215420     -2.084272     -0.990876
  H      -0.780273     -0.909460     -0.102030
  H      -8.824736     -5.032560      5.512441
  H      -8.218188     -6.476263      4.674977
  H      -7.326208     -5.815103      6.070320
  H      -6.849764     -3.729800      4.815484
  H      -7.229428     -3.667583      2.338485
  H      -8.310182     -5.072583      2.477510
  H     -10.606781     -4.773316      3.241016
  H     -12.436624     -3.247962      3.935239
  H     -12.035293      0.431522      4.339322
  H     -13.218044     -0.907691      4.173345
  H      -9.609744     -0.019688      4.288778
  H      -7.783283     -1.543984      3.586031
  H      -0.257930     -3.772059      7.307012
  H       0.010294     -4.161453      5.592549
  H      -0.341907     -5.458583      6.759270
  H      -2.223086     -3.140121      6.054479
  H      -3.909276     -4.047599      7.343344
  H      -2.454782     -4.115374      8.367884
  H      -1.433027     -6.385050      8.897595
  H      -1.763728     -8.839634      9.006236
  H      -4.799178    -10.601183      7.815604
  H      -3.247281    -10.770112      8.702974
  H      -5.357201     -8.460270      6.662402
  H      -5.007991     -6.006307      6.532479
  N      -4.602267     -2.613716      4.918387
  H      -5.461437     -2.077459      4.781859
  H      -3.970747     -2.036700      5.477201
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104754360564
  N      -3.499070     -3.533518      2.100754
  C      -3.043496     -4.455232      1.056379
  C      -2.570302     -5.755837      1.693918
  N      -3.493348     -6.159599      2.781327
  C      -4.754603     -6.748148      2.270227
  C      -5.869087     -6.568949      3.296303
  N      -5.812936     -5.216188      3.846224
  Mo     -4.051687     -4.279345      3.846683
  N      -2.561810     -4.902024      5.020161
  C      -1.921001     -6.174774      4.685486
  C      -2.841758     -7.010147      3.805607
  H      -1.698914     -6.774643      5.583920
  H      -0.949190     -6.012586      4.174781
  H      -3.640103     -7.429034      4.432076
  H      -2.295235     -7.848623      3.335654
  H      -6.829274     -6.763336      2.786121
  H      -5.787258     -7.338665      4.090335
  H      -5.018476     -6.195106      1.357924
  H      -4.609541     -7.811240      2.003189
  H      -2.196882     -4.039306      0.485313
  H      -3.846372     -4.656226      0.318644
  H      -1.588059     -5.583482      2.153287
  H      -2.465932     -6.561413      0.943775
  C      -3.815836     -1.790852      0.321809
  C      -3.464726     -2.100753      1.779135
  C      -2.126610     -1.434930      2.228583
  C      -0.884079     -2.091054      1.702358
  C      -0.274258     -3.128710      2.427135
  C       0.840869     -3.796108      1.925505
  C       1.386134     -3.441796      0.683613
  C       2.585162     -4.148554      0.148206
  Cl      4.143404     -3.351026      0.697453
  C       0.793848     -2.393929     -0.035583
  C      -0.322437     -1.728745      0.467844
  C      -7.904751     -5.540399      5.181184
  C      -7.089491     -4.632427      4.254863
  C      -7.918146     -4.175274      3.017923
  C      -9.059878     -3.270128      3.382328
  C     -10.379900     -3.736876      3.465816
  C     -11.418281     -2.891570      3.853480
  C     -11.166089     -1.550304      4.171394
  C     -12.274022     -0.646579      4.594540
  Cl    -12.520727     -0.685128      6.412822
  C      -9.849144     -1.075995      4.086686
  C      -8.815033     -1.923101      3.696972
  C      -0.576177     -4.425763      6.483414
  C      -2.071726     -4.218141      6.221848
  C      -2.939109     -4.549047      7.482275
  C      -3.184279     -6.015351      7.678120
  C      -2.295481     -6.835744      8.390281
  C      -2.489131     -8.215062      8.457121
  C      -3.586658     -8.813506      7.822391
  C      -3.769386    -10.292203      7.847984
  Cl     -3.020488    -11.078260      6.364265
  C      -4.501795     -7.993823      7.147759
  C      -4.303250     -6.617367      7.078291
  H      -4.776066     -2.254562      0.052580
  H      -3.910984     -0.704139      0.183668
  H      -3.053115     -2.151183     -0.382964
  H      -4.232158     -1.630778      2.412898
  H      -2.154876     -0.374158      1.930836
  H      -2.115219     -1.471553      3.328679
  H      -0.702356     -3.421969      3.388475
  H       1.301096     -4.600635      2.505024
  H       2.625665     -4.128394     -0.946198
  H       2.653948     -5.181530      0.506268
  H       1.218688     -2.097136     -0.997517
  H      -0.770599     -0.914154     -0.105549
  H      -8.815687     -5.025446      5.517372
  H      -8.212237     -6.466912      4.673116
  H      -7.317210     -5.812762      6.069515
  H      -6.840756     -3.722837      4.822689
  H      -7.221113     -3.645926      2.349539
  H      -8.293879     -5.058449      2.476488
  H     -10.593847     -4.779178      3.217654
  H     -12.440340     -3.273526      3.911767
  H     -12.068172      0.402895      4.358219
  H     -13.239450     -0.943551      4.170874
  H      -9.638514     -0.031306      4.327634
  H      -7.795203     -1.535968      3.624080
  H      -0.252234     -3.778326      7.310730
  H       0.017093     -4.163501      5.595422
  H      -0.339911     -5.463103      6.757862
  H      -2.212985     -3.137788      6.055415
  H      -3.902867     -4.037733      7.341644
  H      -2.448154     -4.112346      8.366643
  H      -1.435367     -6.387391      8.892954
  H      -1.777952     -8.840260      9.002323
  H      -4.824024    -10.586393      7.818530
  H      -3.270736    -10.763100      8.701720
  H      -5.373524     -8.443622      6.665300
  H      -5.013399     -5.990616      6.535580
  N      -4.594534     -2.609574      4.924249
  H      -5.446956     -2.065792      4.773567
  H      -3.952932     -2.021117      5.459790
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104765372340
  N      -3.494959     -3.528717      2.098783
  C      -3.041741     -4.451675      1.054419
  C      -2.571551     -5.753357      1.691995
  N      -3.495506     -6.155038      2.778881
  C      -4.758671     -6.739254      2.268372
  C      -5.871535     -6.557732      3.295701
  N      -5.811942     -5.205513      3.846516
  Mo     -4.048850     -4.272935      3.845056
  N      -2.561625     -4.899047      5.019035
  C      -1.923644     -6.172902      4.683155
  C      -2.846378     -7.006423      3.803698
  H      -1.702859     -6.774053      5.581034
  H      -0.951777     -6.012333      4.172306
  H      -3.645786     -7.423036      4.430230
  H      -2.301402     -7.846352      3.334659
  H      -6.832467     -6.750013      2.786196
  H      -5.790483     -7.327735      4.089398
  H      -5.021761     -6.184469      1.356957
  H      -4.617726     -7.802630      2.000502
  H      -2.193687     -4.038274      0.483680
  H      -3.845030     -4.650382      0.316720
  H      -1.589208     -5.582906      2.151766
  H      -2.468438     -6.558678      0.941454
  C      -3.805536     -1.784844      0.319827
  C      -3.455601     -2.096366      1.777226
  C      -2.115616     -1.434983      2.227192
  C      -0.875218     -2.096268      1.702471
  C      -0.270300     -3.136170      2.428029
  C       0.841747     -3.808942      1.926939
  C       1.388655     -3.458087      0.684764
  C       2.583819     -4.171514      0.149565
  Cl      4.146431     -3.380699      0.695669
  C       0.801509     -2.407865     -0.035074
  C      -0.311748     -1.737263      0.467898
  C      -7.904813     -5.528172      5.179922
  C      -7.086991     -4.619321      4.256581
  C      -7.913143     -4.157207      3.020316
  C      -9.062140     -3.262054      3.386042
  C     -10.380016     -3.737619      3.451968
  C     -11.426971     -2.903462      3.840476
  C     -11.185692     -1.564811      4.176958
  C     -12.302891     -0.672765      4.600443
  Cl    -12.564250     -0.731352      6.416039
  C      -9.870925     -1.081682      4.110124
  C      -8.828193     -1.917671      3.719428
  C      -0.573740     -4.426826      6.480667
  C      -2.069330     -4.216928      6.220713
  C      -2.936750     -4.546816      7.481272
  C      -3.181903     -6.012899      7.677998
  C      -2.292338     -6.832710      8.389704
  C      -2.484971     -8.212182      8.456731
  C      -3.582215     -8.811278      7.822435
  C      -3.764217    -10.289975      7.848537
  Cl     -3.016975    -11.076688      6.364301
  C      -4.498389     -7.992159      7.148422
  C      -4.300909     -6.615629      7.078971
  H      -4.768386     -2.243154      0.051089
  H      -3.894498     -0.697638      0.181882
  H      -3.045088     -2.149745     -0.384904
  H      -4.221826     -1.623433      2.410396
  H      -2.140156     -0.374612      1.927837
  H      -2.104544     -1.470478      3.327293
  H      -0.699853     -3.427025      3.389380
  H       1.298160     -4.615311      2.506790
  H       2.623107     -4.153686     -0.944901
  H       2.647564     -5.204140      0.509489
  H       1.227914     -2.113532     -0.996992
  H      -0.755991     -0.921003     -0.106039
  H      -8.813671     -5.011456      5.518834
  H      -8.215606     -6.451545      4.668361
  H      -7.317289     -5.805995      6.066419
  H      -6.836342     -3.712017      4.827371
  H      -7.216108     -3.619993      2.358273
  H      -8.282088     -5.038886      2.471849
  H     -10.585082     -4.778107      3.189401
  H     -12.447149     -3.292119      3.884574
  H     -12.102027      0.380324      4.376315
  H     -13.262648     -0.971794      4.165554
  H      -9.669051     -0.038865      4.365907
  H      -7.810061     -1.523923      3.660983
  H      -0.248691     -3.780910      7.308687
  H       0.019021     -4.163814      5.592657
  H      -0.338478     -5.464765      6.753303
  H      -2.208931     -3.136186      6.055415
  H      -3.899993     -4.034866      7.340338
  H      -2.444431     -4.109991      8.364807
  H      -1.432268     -6.383872      8.891873
  H      -1.773245     -8.836837      9.001713
  H      -4.818797    -10.584470      7.820709
  H      -3.264428    -10.760184      8.701952
  H      -5.369862     -8.442639      6.666287
  H      -5.011697     -5.989224      6.536911
  N      -4.589158     -2.602975      4.925956
  H      -5.437974     -2.055519      4.767386
  H      -3.940375     -2.008695      5.446550
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104775152113
  N      -3.485698     -3.522456      2.093730
  C      -3.036242     -4.447990      1.049981
  C      -2.570688     -5.750894      1.688052
  N      -3.495525     -6.148560      2.775380
  C      -4.761899     -6.726985      2.266747
  C      -5.871836     -6.541558      3.296108
  N      -5.807015     -5.189600      3.847061
  Mo     -4.040982     -4.263279      3.841497
  N      -2.556825     -4.894195      5.015793
  C      -1.923524     -6.170295      4.679356
  C      -2.849279     -7.001088      3.800943
  H      -1.705109     -6.772270      5.577341
  H      -0.951319     -6.012601      4.168442
  H      -3.650151     -7.414713      4.427381
  H      -2.306619     -7.842945      3.332452
  H      -6.834393     -6.730773      2.788451
  H      -5.791749     -7.311342      4.090093
  H      -5.023631     -6.170340      1.356103
  H      -4.626237     -7.790992      1.998409
  H      -2.186319     -4.038153      0.479331
  H      -3.840549     -4.643464      0.312635
  H      -1.587766     -5.583974      2.147703
  H      -2.470999     -6.556919      0.937704
  C      -3.789327     -1.779068      0.313064
  C      -3.440389     -2.090774      1.770709
  C      -2.098266     -1.434127      2.220507
  C      -0.860314     -2.101889      1.698493
  C      -0.261605     -3.143581      2.426325
  C       0.847204     -3.823070      1.927382
  C       1.396921     -3.477566      0.684919
  C       2.587818     -4.199450      0.151626
  Cl      4.155412     -3.416330      0.693910
  C       0.816115     -2.425438     -0.037217
  C      -0.293975     -1.748083      0.463775
  C      -7.899104     -5.510635      5.182222
  C      -7.079876     -4.600744      4.261040
  C      -7.904910     -4.133089      3.026752
  C      -9.065318     -3.254167      3.395797
  C     -10.378925     -3.744028      3.437992
  C     -11.438933     -2.927802      3.828869
  C     -11.215371     -1.593028      4.191595
  C     -12.346532     -0.719719      4.616910
  Cl    -12.626373     -0.808036      6.428380
  C      -9.904918     -1.095628      4.148822
  C      -8.849046     -1.913773      3.755692
  C      -0.566588     -4.430807      6.476851
  C      -2.061413     -4.214760      6.217760
  C      -2.930800     -4.540881      7.477803
  C      -3.182221     -6.005619      7.675088
  C      -2.295795     -6.828700      8.386797
  C      -2.493463     -8.207452      8.454016
  C      -3.592956     -8.802430      7.819916
  C      -3.780947    -10.280235      7.846887
  Cl     -3.038721    -11.072004      6.362901
  C      -4.506282     -7.979837      7.146108
  C      -4.303653     -6.604177      7.076496
  H      -4.754622     -2.232557      0.045221
  H      -3.872652     -0.691497      0.174597
  H      -3.031116     -2.148467     -0.391698
  H      -4.205095     -1.613994      2.403046
  H      -2.118363     -0.374442      1.918237
  H      -2.088027     -1.466851      3.320683
  H      -0.693832     -3.431038      3.387455
  H       1.298747     -4.630971      2.508886
  H       2.626432     -4.185726     -0.942931
  H       2.645356     -5.231235      0.514984
  H       1.244992     -2.134871     -0.999141
  H      -0.733262     -0.930340     -0.111825
  H      -8.804485     -4.991587      5.526584
  H      -8.215720     -6.429907      4.666946
  H      -7.309887     -5.795595      6.065268
  H      -6.825974     -3.696251      4.834957
  H      -7.209940     -3.583684      2.372564
  H      -8.263671     -5.012964      2.468660
  H     -10.569807     -4.781883      3.155154
  H     -12.455397     -3.327688      3.853941
  H     -12.155034      0.338721      4.410444
  H     -13.298200     -1.022669      4.167214
  H      -9.716979     -0.055523      4.425363
  H      -7.834458     -1.508747      3.716494
  H      -0.238975     -3.786296      7.304951
  H       0.026909     -4.169847      5.588836
  H      -0.335283     -5.469699      6.749172
  H      -2.196812     -3.133362      6.053073
  H      -3.891268     -4.024068      7.336394
  H      -2.435858     -4.106235      8.361039
  H      -1.434104     -6.383031      8.888987
  H      -1.784035     -8.834632      8.999037
  H      -4.836792    -10.570322      7.820528
  H      -3.282375    -10.751771      8.700286
  H      -5.379296     -8.427199      6.663900
  H      -5.012197     -5.974995      6.534712
  N      -4.576371     -2.591651      4.923989
  H      -5.422776     -2.042202      4.759238
  H      -3.919542     -1.992352      5.428652
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104779960576
  N      -3.481438     -3.517406      2.088759
  C      -3.034968     -4.444537      1.045166
  C      -2.572765     -5.748533      1.683038
  N      -3.497552     -6.143352      2.771609
  C      -4.766289     -6.718420      2.264869
  C      -5.874083     -6.530328      3.295686
  N      -5.805683     -5.178280      3.846201
  Mo     -4.037356     -4.256299      3.837667
  N      -2.554214     -4.890727      5.011197
  C      -1.924189     -6.168495      4.674465
  C      -2.852266     -6.997190      3.796858
  H      -1.707036     -6.770626      5.572696
  H      -0.951840     -6.012794      4.163188
  H      -3.653686     -7.409526      4.423370
  H      -2.311415     -7.839887      3.327521
  H      -6.837963     -6.717379      2.789620
  H      -5.794701     -7.299845      4.090069
  H      -5.027284     -6.160967      1.354483
  H      -4.633468     -7.782854      1.996419
  H      -2.184098     -4.036741      0.474338
  H      -3.840279     -4.637513      0.308181
  H      -1.588901     -5.584888      2.141822
  H      -2.476787     -6.555355      0.932954
  C      -3.779219     -1.774284      0.306908
  C      -3.432126     -2.085977      1.764932
  C      -2.088653     -1.432798      2.215545
  C      -0.852064     -2.106241      1.697803
  C      -0.259257     -3.148486      2.429524
  C       0.848094     -3.833512      1.934976
  C       1.402271     -3.493214      0.693057
  C       2.591393     -4.221415      0.164474
  Cl      4.161165     -3.443294      0.707368
  C       0.827325     -2.440551     -0.033046
  C      -0.281338     -1.757661      0.463592
  C      -7.896363     -5.497816      5.184727
  C      -7.077185     -4.588055      4.263331
  C      -7.902891     -4.118440      3.030521
  C      -9.070046     -3.249242      3.401821
  C     -10.380694     -3.747776      3.432590
  C     -11.448125     -2.942113      3.825064
  C     -11.235287     -1.609198      4.200788
  C     -12.374317     -0.746970      4.627593
  Cl    -12.662010     -0.850842      6.436925
  C      -9.927824     -1.103163      4.169525
  C      -8.864448     -1.910852      3.774974
  C      -0.561824     -4.432077      6.470916
  C      -2.056338     -4.212958      6.213323
  C      -2.925565     -4.537845      7.473781
  C      -3.179035     -6.002055      7.671632
  C      -2.293737     -6.826077      8.383694
  C      -2.493185     -8.204531      8.451373
  C      -3.593448     -8.798323      7.817402
  C      -3.783305    -10.275824      7.844766
  Cl     -3.042386    -11.069401      6.361200
  C      -4.505587     -7.974710      7.143209
  C      -4.301076     -6.599394      7.073092
  H      -4.745091     -2.226163      0.038363
  H      -3.860629     -0.686566      0.168182
  H      -3.021086     -2.144909     -0.397382
  H      -4.196088     -1.606937      2.396511
  H      -2.104497     -0.373709      1.910703
  H      -2.080852     -1.462627      3.315839
  H      -0.695264     -3.432339      3.390064
  H       1.295008     -4.641804      2.519578
  H       2.632327     -4.211321     -0.930065
  H       2.643905     -5.252334      0.531095
  H       1.259715     -2.153884     -0.994598
  H      -0.716008     -0.939479     -0.114952
  H      -8.799412     -4.977103      5.532589
  H      -8.217167     -6.415116      4.668469
  H      -7.305640     -5.786263      6.065666
  H      -6.820922     -3.684686      4.837995
  H      -7.210181     -3.562061      2.379778
  H      -8.255828     -4.997618      2.467571
  H     -10.563225     -4.784451      3.139906
  H     -12.461990     -3.349119      3.841069
  H     -12.189329      0.314355      4.430047
  H     -13.321804     -1.053022      4.171178
  H      -9.748008     -0.064313      4.456217
  H      -7.852454     -1.498505      3.745048
  H      -0.231974     -3.787583      7.298180
  H       0.031476     -4.173194      5.582157
  H      -0.332433     -5.471231      6.744018
  H      -2.190067     -3.131268      6.049073
  H      -3.885141     -4.019215      7.332921
  H      -2.429475     -4.103946      8.356833
  H      -1.431557     -6.381303      8.885923
  H      -1.784467     -8.832427      8.996554
  H      -4.839516    -10.564689      7.818641
  H      -3.285234    -10.747754      8.698272
  H      -5.378978     -8.421111      6.660707
  H      -5.008521     -5.969528      6.530630
  N      -4.568254     -2.582901      4.919330
  H      -5.414716     -2.033691      4.754729
  H      -3.907944     -1.982885      5.418379
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104783786587
  N      -3.477853     -3.513039      2.083155
  C      -3.034018     -4.441772      1.039896
  C      -2.574687     -5.746660      1.677708
  N      -3.498903     -6.138567      2.768119
  C      -4.769577     -6.711669      2.263565
  C      -5.875548     -6.521081      3.295642
  N      -5.804455     -5.168484      3.844811
  Mo     -4.034111     -4.250025      3.833274
  N      -2.551292     -4.887063      5.005987
  C      -1.923738     -6.166305      4.669599
  C      -2.853595     -6.993538      3.792654
  H      -1.707309     -6.767987      5.568298
  H      -0.951295     -6.012357      4.157875
  H      -3.655026     -7.405448      4.419435
  H      -2.314221     -7.836571      3.322069
  H      -6.840585     -6.706864      2.791240
  H      -5.796512     -7.289995      4.090719
  H      -5.030472     -6.154344      1.353023
  H      -4.638521     -7.776504      1.995534
  H      -2.182641     -4.035647      0.468571
  H      -3.840234     -4.632962      0.303296
  H      -1.589602     -5.586117      2.134969
  H      -2.482782     -6.554573      0.928233
  C      -3.770927     -1.770980      0.299338
  C      -3.425944     -2.081811      1.757968
  C      -2.081550     -1.430590      2.209172
  C      -0.845720     -2.109403      1.696754
  C      -0.258957     -3.151476      2.433502
  C       0.847999     -3.841493      1.944986
  C       1.407820     -3.506591      0.704159
  C       2.596622     -4.240079      0.182243
  Cl      4.166832     -3.465264      0.728533
  C       0.838713     -2.454277     -0.027131
  C      -0.269519     -1.766339      0.463471
  C      -7.891804     -5.486822      5.189514
  C      -7.074811     -4.577833      4.265467
  C      -7.903484     -4.109120      3.034407
  C      -9.075658     -3.247432      3.407990
  C     -10.383541     -3.753356      3.434992
  C     -11.456125     -2.955460      3.829260
  C     -11.251559     -1.622797      4.210506
  C     -12.396025     -0.768863      4.639361
  Cl    -12.684174     -0.880466      6.448136
  C      -9.946901     -1.109414      4.182990
  C      -8.878290     -1.909454      3.786889
  C      -0.558002     -4.432353      6.465910
  C      -2.052037     -4.210582      6.208512
  C      -2.921335     -4.534964      7.469087
  C      -3.176787     -5.998868      7.666596
  C      -2.292936     -6.824266      8.378984
  C      -2.494503     -8.202382      8.446491
  C      -3.595544     -8.794567      7.812180
  C      -3.787321    -10.271836      7.839001
  Cl     -3.046738    -11.065722      6.355528
  C      -4.506120     -7.969542      7.137669
  C      -4.299415     -6.594532      7.067568
  H      -4.736228     -2.223403      0.029470
  H      -3.852781     -0.683336      0.159991
  H      -3.011625     -2.141176     -0.404017
  H      -4.189688     -1.601163      2.388528
  H      -2.093497     -0.372299      1.901246
  H      -2.076705     -1.456766      3.309606
  H      -0.699767     -3.431584      3.392962
  H       1.290159     -4.649536      2.533630
  H       2.641806     -4.233568     -0.912181
  H       2.644605     -5.270025      0.552249
  H       1.275390     -2.171817     -0.988035
  H      -0.699620     -0.948439     -0.118957
  H      -8.792961     -4.964992      5.540562
  H      -8.216052     -6.403615      4.674411
  H      -7.298589     -5.776231      6.068520
  H      -6.816546     -3.674303      4.838977
  H      -7.214160     -3.547871      2.384198
  H      -8.252271     -4.988748      2.469537
  H     -10.559880     -4.790050      3.138403
  H     -12.467545     -3.368732      3.842299
  H     -12.217549      0.294278      4.445505
  H     -13.341430     -1.079169      4.181470
  H      -9.773038     -0.070658      4.473901
  H      -7.868859     -1.490526      3.760253
  H      -0.226466     -3.787507      7.292262
  H       0.035836     -4.176009      5.576735
  H      -0.330652     -5.471618      6.740528
  H      -2.184565     -3.128706      6.044548
  H      -3.880259     -4.014846      7.328853
  H      -2.424939     -4.102086      8.352514
  H      -1.430247     -6.380750      8.881539
  H      -1.786720     -8.831368      8.991710
  H      -4.843849    -10.559545      7.812227
  H      -3.290155    -10.744806      8.692488
  H      -5.380029     -8.414562      6.654728
  H      -5.005541     -5.963685      6.524442
  N      -4.560792     -2.574128      4.911988
  H      -5.408001     -2.025708      4.749406
  H      -3.898744     -1.974182      5.408575
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104785748564
  N      -3.475775     -3.509178      2.078747
  C      -3.033863     -4.438967      1.035633
  C      -2.576571     -5.744613      1.673331
  N      -3.500301     -6.134430      2.765024
  C      -4.772106     -6.706410      2.261868
  C      -5.877010     -6.514092      3.294757
  N      -5.804345     -5.161027      3.842754
  Mo     -4.032641     -4.244876      3.829450
  N      -2.550290     -4.883886      5.001827
  C      -1.923963     -6.163862      4.665514
  C      -2.854839     -6.990290      3.788805
  H      -1.707552     -6.765334      5.564300
  H      -0.951594     -6.010890      4.153309
  H      -3.656032     -7.402177      4.415951
  H      -2.316427     -7.833431      3.317361
  H      -6.842666     -6.699450      2.791389
  H      -5.798056     -7.282571      4.090277
  H      -5.033317     -6.149380      1.351205
  H      -4.642263     -7.771471      1.994139
  H      -2.182161     -4.034172      0.463861
  H      -3.840597     -4.629032      0.299238
  H      -1.590526     -5.586221      2.129289
  H      -2.487517     -6.553123      0.924194
  C      -3.764719     -1.767705      0.293454
  C      -3.421797     -2.078112      1.752647
  C      -2.076554     -1.428446      2.204297
  C      -0.841418     -2.112191      1.696715
  C      -0.260129     -3.154145      2.437993
  C       0.846446     -3.848625      1.954890
  C       1.411305     -3.518536      0.715081
  C       2.599920     -4.256562      0.199159
  Cl      4.170216     -3.484505      0.749241
  C       0.847501     -2.466571     -0.020837
  C      -0.260292     -1.774063      0.464324
  C      -7.888411     -5.478829      5.192761
  C      -7.073818     -4.570368      4.266138
  C      -7.905513     -4.103078      3.036597
  C      -9.080819     -3.246411      3.412039
  C     -10.386634     -3.757639      3.439320
  C     -11.462246     -2.964670      3.835278
  C     -11.263011     -1.631620      4.218069
  C     -12.410707     -0.783109      4.649031
  Cl    -12.695921     -0.897823      6.458120
  C      -9.960465     -1.112952      4.190267
  C      -8.888774     -1.908116      3.792497
  C      -0.556832     -4.431060      6.462360
  C      -2.050651     -4.208219      6.204752
  C      -2.919807     -4.533105      7.465309
  C      -3.175015     -5.997168      7.662411
  C      -2.291270     -6.822647      8.374932
  C      -2.492839     -8.200756      8.442125
  C      -3.593758     -8.792932      7.807498
  C      -3.785156    -10.270305      7.833617
  Cl     -3.043670    -11.062787      6.349837
  C      -4.504188     -7.967855      7.132937
  C      -4.297467     -6.592791      7.063022
  H      -4.729553     -2.220365      0.022205
  H      -3.846671     -0.680122      0.153627
  H      -3.004340     -2.137749     -0.408856
  H      -4.185443     -1.596137      2.382224
  H      -2.085010     -0.371002      1.893427
  H      -2.074087     -1.451326      3.304836
  H      -0.705120     -3.430736      3.396524
  H       1.284342     -4.656410      2.547105
  H       2.649140     -4.252892     -0.895108
  H       2.643867     -5.285699      0.571909
  H       1.287994     -2.187964     -0.981142
  H      -0.686332     -0.956537     -0.121636
  H      -8.788549     -4.956635      5.545875
  H      -8.214415     -6.395815      4.679067
  H      -7.293097     -5.767971      6.070444
  H      -6.814341     -3.666305      4.838274
  H      -7.219094     -3.538658      2.386044
  H      -8.251572     -4.983397      2.471125
  H     -10.559064     -4.794749      3.141830
  H     -12.471864     -3.382360      3.848439
  H     -12.237310      0.281029      4.456028
  H     -13.355346     -1.097225      4.192159
  H      -9.790362     -0.073883      4.482344
  H      -7.881291     -1.484490      3.765972
  H      -0.224670     -3.786204      7.288462
  H       0.037490     -4.175764      5.573173
  H      -0.330460     -5.470396      6.737570
  H      -2.182926     -3.126268      6.041293
  H      -3.878918     -4.013179      7.325334
  H      -2.423898     -4.100351      8.349052
  H      -1.428685     -6.379169      8.877710
  H      -1.785093     -8.829816      8.987338
  H      -4.841555    -10.558426      7.806224
  H      -3.288096    -10.743644      8.686963
  H      -5.378093     -8.412761      6.649859
  H      -5.003397     -5.961950      6.519617
  N      -4.556704     -2.567146      4.905893
  H      -5.403788     -2.018429      4.743752
  H      -3.893454     -1.966255      5.399717
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104787505925
  N      -3.473413     -3.504582      2.073589
  C      -3.033528     -4.435631      1.030747
  C      -2.578389     -5.742032      1.668518
  N      -3.501766     -6.129502      2.761358
  C      -4.774568     -6.700344      2.259429
  C      -5.878477     -6.506167      3.293091
  N      -5.804462     -5.152546      3.839618
  Mo     -4.031425     -4.238740      3.824706
  N      -2.550154     -4.879815      4.997335
  C      -1.924624     -6.160228      4.660976
  C      -2.856292     -6.986142      3.784456
  H      -1.707977     -6.761604      5.559693
  H      -0.952429     -6.007950      4.148248
  H      -3.657183     -7.398028      4.412026
  H      -2.318667     -7.829376      3.312427
  H      -6.844626     -6.691580      2.790716
  H      -5.799349     -7.274009      4.089190
  H      -5.036197     -6.143655      1.348665
  H      -4.646178     -7.765640      1.992092
  H      -2.181346     -4.032549      0.458521
  H      -3.840675     -4.624627      0.294522
  H      -1.591416     -5.585700      2.123154
  H      -2.492074     -6.551052      0.919687
  C      -3.757207     -1.763796      0.286434
  C      -3.416774     -2.073831      1.746335
  C      -2.070565     -1.425976      2.198487
  C      -0.836249     -2.115574      1.696722
  C      -0.261726     -3.157679      2.443083
  C       0.844234     -3.857461      1.966246
  C       1.415137     -3.532848      0.727770
  C       2.603230     -4.276447      0.218681
  Cl      4.173854     -3.508444      0.773709
  C       0.857949     -2.480999     -0.013297
  C      -0.249187     -1.783038      0.465589
  C      -7.884344     -5.470211      5.195853
  C      -7.072922     -4.562103      4.266157
  C      -7.908353     -4.096603      3.038502
  C      -9.086794     -3.245367      3.416353
  C     -10.390216     -3.762594      3.445511
  C     -11.468804     -2.974960      3.843980
  C     -11.275155     -1.641328      4.227635
  C     -12.426071     -0.798735      4.661569
  Cl    -12.706291     -0.915893      6.471363
  C      -9.975076     -1.116652      4.197937
  C      -8.900353     -1.906521      3.797593
  C      -0.557193     -4.428402      6.459202
  C      -2.050866     -4.205049      6.200912
  C      -2.920204     -4.530996      7.461022
  C      -3.174189     -5.995420      7.657596
  C      -2.289937     -6.820364      8.370158
  C      -2.490373     -8.198653      8.436813
  C      -3.590630     -8.791577      7.801735
  C      -3.780551    -10.269196      7.827090
  Cl     -3.037561    -11.059671      6.342927
  C      -4.501643     -7.967084      7.127313
  C      -4.296048     -6.591785      7.057825
  H      -4.721713     -2.216181      0.013558
  H      -3.838615     -0.676252      0.146094
  H      -2.995751     -2.134226     -0.414501
  H      -4.180317     -1.590048      2.374582
  H      -2.074992     -0.369692      1.883789
  H      -2.070627     -1.444822      3.299122
  H      -0.711701     -3.430302      3.400362
  H       1.276885     -4.665192      2.562380
  H       2.657205     -4.275664     -0.875358
  H       2.641933     -5.304772      0.594207
  H       1.303079     -2.206734     -0.972704
  H      -0.670172     -0.965725     -0.124304
  H      -8.783565     -4.948019      5.551266
  H      -8.211696     -6.387634      4.683808
  H      -7.286419     -5.758626      6.071966
  H      -6.812346     -3.657282      4.836623
  H      -7.225298     -3.528792      2.387371
  H      -8.251563     -4.977808      2.472688
  H     -10.558519     -4.800267      3.147654
  H     -12.476376     -3.397496      3.858441
  H     -12.258556      0.266367      4.468737
  H     -13.370187     -1.117456      4.206842
  H      -9.808991     -0.077124      4.490655
  H      -7.895079     -1.477782      3.770013
  H      -0.225101     -3.783900      7.285596
  H       0.037859     -4.173321      5.570440
  H      -0.331490     -5.467880      6.734383
  H      -2.183242     -3.123018      6.038312
  H      -3.879806     -4.011980      7.320930
  H      -2.425224     -4.098025      8.345134
  H      -1.427844     -6.376332      8.873250
  H      -1.782255     -8.827296      8.982010
  H      -4.836620    -10.558427      7.799098
  H      -3.283279    -10.742523      8.680303
  H      -5.375212     -8.412511      6.644133
  H      -5.002369     -5.961377      6.514436
  N      -4.553429     -2.558950      4.898793
  H      -5.400331     -2.009852      4.736524
  H      -3.888859     -1.956064      5.388572
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104788724377
  N      -3.471603     -3.499865      2.068041
  C      -3.033591     -4.432123      1.025499
  C      -2.580388     -5.739170      1.663394
  N      -3.503563     -6.124532      2.757123
  C      -4.777182     -6.694332      2.256173
  C      -5.880191     -6.498569      3.290535
  N      -5.805219     -5.144420      3.835531
  Mo     -4.031093     -4.232533      3.819373
  N      -2.551311     -4.875601      4.992708
  C      -1.926006     -6.156025      4.656052
  C      -2.858157     -6.981732      3.779733
  H      -1.708864     -6.757448      5.554562
  H      -0.954085     -6.003898      4.142801
  H      -3.658760     -7.393649      4.407649
  H      -2.321001     -7.825002      3.307352
  H      -6.846738     -6.684427      2.789082
  H      -5.800599     -7.265651      4.087310
  H      -5.039152     -6.137852      1.345379
  H      -4.650206     -7.759851      1.989198
  H      -2.180852     -4.030749      0.452910
  H      -3.841095     -4.620106      0.289433
  H      -1.592662     -5.584583      2.116931
  H      -2.496367     -6.548548      0.914749
  C      -3.749784     -1.759690      0.279035
  C      -3.412024     -2.069494      1.739681
  C      -2.064987     -1.423578      2.192618
  C      -0.831398     -2.119165      1.697224
  C      -0.264189     -3.161586      2.448728
  C       0.841170     -3.866745      1.978528
  C       1.418681     -3.547561      0.741699
  C       2.606137     -4.297015      0.239772
  Cl      4.177171     -3.533959      0.800661
  C       0.868682     -2.495655     -0.004564
  C      -0.237857     -1.792165      0.467705
  C      -7.880798     -5.462266      5.198041
  C      -7.072732     -4.554378      4.265231
  C      -7.911973     -4.090707      3.039509
  C      -9.092868     -3.244172      3.420049
  C     -10.394035     -3.766900      3.452633
  C     -11.474864     -2.983954      3.854190
  C     -11.285877     -1.649601      4.237673
  C     -12.439247     -0.812198      4.675069
  Cl    -12.713048     -0.930366      6.485863
  C      -9.988152     -1.119388      4.204471
  C      -8.911137     -1.904616      3.801002
  C      -0.559228     -4.424595      6.456016
  C      -2.052939     -4.201712      6.197112
  C      -2.922549     -4.529347      7.456502
  C      -3.173878     -5.994311      7.652834
  C      -2.288293     -6.817630      8.365625
  C      -2.486026     -8.196324      8.431920
  C      -3.584863     -8.791287      7.796336
  C      -3.771817    -10.269307      7.821325
  Cl     -3.026444    -11.057748      6.337200
  C      -4.497343     -7.968478      7.121863
  C      -4.294417     -6.592746      7.052661
  H      -4.714125     -2.211343      0.004424
  H      -3.830120     -0.672134      0.138328
  H      -2.987348     -2.130871     -0.420428
  H      -4.175515     -1.583749      2.366457
  H      -2.065305     -0.368606      1.873680
  H      -2.067712     -1.438093      3.293326
  H      -0.719499     -3.430311      3.404525
  H       1.268219     -4.674538      2.578601
  H       2.665296     -4.298798     -0.853986
  H       2.638954     -5.324642      0.617724
  H       1.318927     -2.225611     -0.962765
  H      -0.653291     -0.974867     -0.126121
  H      -8.779310     -4.940381      5.555624
  H      -8.208989     -6.380294      4.687648
  H      -7.280194     -5.749633      6.072616
  H      -6.811258     -3.648728      4.833986
  H      -7.232118     -3.520007      2.387573
  H      -8.252910     -4.972783      2.473698
  H     -10.558851     -4.805227      3.155154
  H     -12.480544     -3.410841      3.871231
  H     -12.277312      0.253630      4.481546
  H     -13.383304     -1.135444      4.223459
  H      -9.825506     -0.079276      4.496985
  H      -7.907901     -1.471326      3.771020
  H      -0.227831     -3.780703      7.283154
  H       0.036356     -4.168638      5.567887
  H      -0.333396     -5.464226      6.730439
  H      -2.186044     -3.119631      6.035642
  H      -3.883068     -4.012189      7.315875
  H      -2.428956     -4.095485      8.340927
  H      -1.427292     -6.372011      8.869138
  H      -1.776929     -8.823683      8.977294
  H      -4.827281    -10.560636      7.792756
  H      -3.273979    -10.741812      8.674648
  H      -5.369956     -8.415501      6.638466
  H      -5.001775     -5.963594      6.509183
  N      -4.551923     -2.550931      4.891418
  H      -5.399017     -2.001995      4.729161
  H      -3.886258     -1.945521      5.376749
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104789824847
  N      -3.469421     -3.494362      2.060929
  C      -3.033559     -4.428132      1.018843
  C      -2.582582     -5.735816      1.657015
  N      -3.505661     -6.118793      2.751629
  C      -4.780261     -6.687258      2.251784
  C      -5.882141     -6.489738      3.286992
  N      -5.806152     -5.134991      3.830138
  Mo     -4.030893     -4.225118      3.812509
  N      -2.553332     -4.870526      4.987153
  C      -1.928020     -6.150778      4.650093
  C      -2.860507     -6.976396      3.774017
  H      -1.710331     -6.752297      5.548370
  H      -0.956406     -5.998513      4.136362
  H      -3.660946     -7.388228      4.402160
  H      -2.323659     -7.819739      3.301481
  H      -6.849197     -6.676247      2.786717
  H      -5.801793     -7.255798      4.084685
  H      -5.042430     -6.130839      1.341015
  H      -4.655014     -7.753064      1.985225
  H      -2.180088     -4.028794      0.445899
  H      -3.841530     -4.614872      0.283013
  H      -1.594120     -5.583094      2.109486
  H      -2.500994     -6.545607      0.908579
  C      -3.740744     -1.754981      0.269655
  C      -3.406141     -2.064488      1.731185
  C      -2.058238     -1.420916      2.185189
  C      -0.825428     -2.123421      1.697505
  C      -0.267012     -3.166295      2.454907
  C       0.837731     -3.877557      1.992643
  C       1.423298     -3.564485      0.758022
  C       2.609982     -4.320788      0.264646
  Cl      4.181471     -3.564142      0.833053
  C       0.881950     -2.512410      0.005794
  C      -0.224005     -1.802648      0.470185
  C      -7.876595     -5.453298      5.200103
  C      -7.072575     -4.545517      4.263702
  C      -7.916324     -4.083828      3.040338
  C      -9.099826     -3.242643      3.424451
  C     -10.398332     -3.771733      3.461495
  C     -11.481517     -2.994274      3.867247
  C     -11.297707     -1.659156      4.250586
  C     -12.453646     -0.827757      4.692558
  Cl    -12.719411     -0.946991      6.504545
  C     -10.002767     -1.122530      4.212779
  C      -8.923340     -1.902330      3.805119
  C      -0.562757     -4.419752      6.452641
  C      -2.056513     -4.197779      6.192801
  C      -2.926942     -4.527637      7.450904
  C      -3.174578     -5.993247      7.647210
  C      -2.287277     -6.814049      8.360752
  C      -2.481185     -8.193290      8.426960
  C      -3.577883     -8.791315      7.790610
  C      -3.760858    -10.269829      7.815765
  Cl     -3.012073    -11.056666      6.332465
  C      -4.492233     -7.971086      7.115511
  C      -4.293053     -6.594807      7.046330
  H      -4.705079     -2.205410     -0.006899
  H      -3.819388     -0.667369      0.128586
  H      -2.977347     -2.127369     -0.428122
  H      -4.169577     -1.576298      2.356153
  H      -2.053798     -0.367575      1.861058
  H      -2.064120     -1.430146      3.285951
  H      -0.728723     -3.430716      3.408772
  H       1.258140     -4.685470      2.597231
  H       2.675482     -4.325257     -0.828735
  H       2.635549     -5.347704      0.645053
  H       1.338442     -2.247030     -0.950739
  H      -0.632670     -0.985203     -0.128130
  H      -8.774310     -4.931942      5.560345
  H      -8.205613     -6.372033      4.691542
  H      -7.272719     -5.739416      6.072786
  H      -6.810097     -3.638983      4.830572
  H      -7.240143     -3.509855      2.387478
  H      -8.254896     -4.966791      2.474507
  H     -10.559181     -4.810772      3.164370
  H     -12.485001     -3.426125      3.887759
  H     -12.298187      0.238879      4.498210
  H     -13.397781     -1.156168      4.244878
  H      -9.844073     -0.081758      4.505072
  H      -7.922441     -1.463934      3.771795
  H      -0.232653     -3.776892      7.281091
  H       0.033487     -4.161986      5.565520
  H      -0.336403     -5.459640      6.725596
  H      -2.190682     -3.115634      6.032814
  H      -3.888616     -4.013016      7.309001
  H      -2.435447     -4.092330      8.335787
  H      -1.427973     -6.366018      8.864987
  H      -1.770806     -8.818658      8.972926
  H      -4.815522    -10.563927      7.786372
  H      -3.262493    -10.740760      8.669639
  H      -5.363267     -8.420585      6.631591
  H      -5.001712     -5.967572      6.502327
  N      -4.550908     -2.541505      4.882261
  H      -5.398686     -1.993500      4.720123
  H      -3.883891     -1.932626      5.361497
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104790946887
  N      -3.468188     -3.489748      2.053947
  C      -3.034077     -4.424828      1.012294
  C      -2.584906     -5.732965      1.650738
  N      -3.507917     -6.114091      2.746055
  C      -4.783331     -6.681529      2.247168
  C      -5.884222     -6.482720      3.283099
  N      -5.807641     -5.127426      3.824560
  Mo     -4.031610     -4.218883      3.805681
  N      -2.556387     -4.866173      4.981964
  C      -1.930567     -6.146016      4.644498
  C      -2.862932     -6.971789      3.768492
  H      -1.712360     -6.747611      5.542583
  H      -0.959197     -5.993149      4.130535
  H      -3.663320     -7.383696      4.396593
  H      -2.325968     -7.815045      3.295929
  H      -6.851746     -6.670012      2.783960
  H      -5.802951     -7.247759      4.081715
  H      -5.045558     -6.125074      1.336444
  H      -4.659406     -7.747586      1.980976
  H      -2.179982     -4.027133      0.439093
  H      -3.842510     -4.610457      0.276718
  H      -1.595897     -5.581689      2.102421
  H      -2.505231     -6.543116      0.902479
  C      -3.732931     -1.750938      0.260736
  C      -3.401454     -2.060294      1.723092
  C      -2.052967     -1.418849      2.178503
  C      -0.820628     -2.127125      1.697870
  C      -0.270107     -3.170568      2.460211
  C       0.834462     -3.886652      2.005150
  C       1.427659     -3.578251      0.772974
  C       2.614038     -4.340065      0.287431
  Cl      4.185435     -3.589392      0.863982
  C       0.894055     -2.525872      0.015747
  C      -0.211764     -1.811148      0.472999
  C      -7.873447     -5.446459      5.201281
  C      -7.073241     -4.538727      4.261570
  C      -7.921170     -4.078975      3.040311
  C      -9.106044     -3.241335      3.427883
  C     -10.402475     -3.775132      3.470788
  C     -11.486717     -3.001394      3.880717
  C     -11.306121     -1.665353      4.262402
  C     -12.463204     -0.837997      4.708911
  Cl    -12.720208     -0.956272      6.522244
  C     -10.013370     -1.123971      4.218528
  C      -8.932849     -1.900101      3.806746
  C      -0.567834     -4.414890      6.450073
  C      -2.061665     -4.194520      6.189091
  C      -2.933231     -4.527071      7.445556
  C      -3.176036     -5.993418      7.642243
  C      -2.286751     -6.810634      8.357416
  C      -2.475784     -8.190521      8.424198
  C      -3.569547     -8.792802      7.786833
  C      -3.747553    -10.271893      7.813045
  Cl     -2.994009    -11.057874      6.331728
  C      -4.485956     -7.976234      7.110054
  C      -4.291562     -6.599319      7.040266
  H      -4.697252     -2.200160     -0.017757
  H      -3.809941     -0.663237      0.119527
  H      -2.968586     -2.124356     -0.435475
  H      -4.164986     -1.569988      2.346328
  H      -2.044385     -0.366941      1.849890
  H      -2.061895     -1.423468      3.279280
  H      -0.737702     -3.431766      3.412062
  H       1.249038     -4.694756      2.613517
  H       2.685815     -4.346145     -0.805547
  H       2.633066     -5.366601      0.669237
  H       1.356421     -2.263991     -0.938924
  H      -0.614243     -0.993362     -0.129064
  H      -8.770608     -4.925787      5.563784
  H      -8.202888     -6.366020      4.694498
  H      -7.266587     -5.731087      6.072350
  H      -6.810055     -3.631336      4.826695
  H      -7.248074     -3.502972      2.386075
  H      -8.258639     -4.962722      2.475061
  H     -10.560795     -4.814971      3.175114
  H     -12.488527     -3.436865      3.905926
  H     -12.312831      0.229039      4.512755
  H     -13.408083     -1.170607      4.265928
  H      -9.857243     -0.082411      4.509392
  H      -7.933718     -1.458061      3.768742
  H      -0.239546     -3.773204      7.280159
  H       0.028991     -4.154532      5.564132
  H      -0.340324     -5.455015      6.721141
  H      -2.197356     -3.112362      6.030619
  H      -3.896355     -4.015753      7.301672
  H      -2.444613     -4.089637      8.331006
  H      -1.429805     -6.359236      8.862651
  H      -1.763904     -8.813042      8.971451
  H      -4.801206    -10.569457      7.782420
  H      -3.248884    -10.740301      8.668130
  H      -5.354697     -8.429214      6.625265
  H      -5.001625     -5.974845      6.494892
  N      -4.551590     -2.533530      4.873157
  H      -5.400620     -1.987296      4.711545
  H      -3.883566     -1.921207      5.346619
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104791703207
  N      -3.466916     -3.486104      2.047987
  C      -3.034349     -4.422323      1.006689
  C      -2.586782     -5.730842      1.645361
  N      -3.509724     -6.110495      2.741234
  C      -4.785985     -6.676853      2.243314
  C      -5.885897     -6.476966      3.279963
  N      -5.808651     -5.121271      3.820183
  Mo     -4.032020     -4.213808      3.799933
  N      -2.559167     -4.862770      4.977891
  C      -1.932899     -6.142308      4.640080
  C      -2.864988     -6.968139      3.763936
  H      -1.714487     -6.743997      5.538048
  H      -0.961618     -5.988846      4.126157
  H      -3.665534     -7.380064      4.391777
  H      -2.327795     -7.811329      3.291470
  H      -6.853935     -6.664674      2.781930
  H      -5.803852     -7.241206      4.079311
  H      -5.048162     -6.120207      1.332689
  H      -4.663267     -7.743127      1.977331
  H      -2.179755     -4.025978      0.433256
  H      -3.843289     -4.606880      0.271404
  H      -1.597357     -5.580799      2.096492
  H      -2.508667     -6.541329      0.897272
  C      -3.725909     -1.747534      0.253390
  C      -3.397068     -2.056957      1.716380
  C      -2.048029     -1.417539      2.173074
  C      -0.816153     -2.130113      1.697518
  C      -0.271540     -3.174212      2.463168
  C       0.832946     -3.893641      2.013272
  C       1.431888     -3.588268      0.783106
  C       2.618114     -4.353930      0.303279
  Cl      4.189286     -3.608039      0.886484
  C       0.904045     -2.535455      0.022514
  C      -0.201699     -1.817279      0.474660
  C      -7.870841     -5.440889      5.202202
  C      -7.073574     -4.533135      4.260022
  C      -7.924747     -4.074657      3.040468
  C      -9.110752     -3.239950      3.430981
  C     -10.405519     -3.777502      3.477905
  C     -11.490693     -3.006937      3.891242
  C     -11.312741     -1.670361      4.272331
  C     -12.470788     -0.846387      4.722582
  Cl    -12.721375     -0.964772      6.536772
  C     -10.021732     -1.125193      4.224269
  C      -8.940256     -1.898184      3.809124
  C      -0.572925     -4.411589      6.449199
  C      -2.066623     -4.192321      6.186632
  C      -2.939983     -4.527210      7.441107
  C      -3.178432     -5.994155      7.638390
  C      -2.287862     -6.807796      8.356037
  C      -2.472605     -8.188196      8.423972
  C      -3.563342     -8.794615      7.785330
  C      -3.737061    -10.274179      7.813341
  Cl     -2.978366    -11.060537      6.334948
  C      -4.481015     -7.981687      7.105852
  C      -4.290838     -6.604264      7.034892
  H      -4.690413     -2.195410     -0.026606
  H      -3.801196     -0.659715      0.112159
  H      -2.960987     -2.121983     -0.441660
  H      -4.160624     -1.564901      2.338247
  H      -2.036153     -0.366627      1.841389
  H      -2.059269     -1.418906      3.273846
  H      -0.743430     -3.433374      3.413447
  H       1.243265     -4.702037      2.624156
  H       2.694734     -4.360718     -0.789372
  H       2.632200     -5.380359      0.685597
  H       1.370769     -2.275805     -0.930651
  H      -0.599471     -0.999034     -0.129950
  H      -8.767481     -4.920704      5.566618
  H      -8.200778     -6.361001      4.696735
  H      -7.261602     -5.724492      6.071936
  H      -6.809761     -3.625220      4.823970
  H      -7.254038     -3.496954      2.385299
  H      -8.261420     -4.958857      2.475458
  H     -10.561671     -4.817835      3.182794
  H     -12.491179     -3.445260      3.919719
  H     -12.324331      0.221045      4.525588
  H     -13.416138     -1.182013      4.282877
  H      -9.867827     -0.083140      4.514580
  H      -7.942483     -1.453358      3.767781
  H      -0.246493     -3.771301      7.281105
  H       0.024713     -4.148589      5.564600
  H      -0.344520     -5.452037      6.718277
  H      -2.203429     -3.110130      6.029504
  H      -3.904292     -4.018916      7.294512
  H      -2.454694     -4.087582      8.327331
  H      -1.433382     -6.353116      8.862516
  H      -1.759749     -8.807874      8.973182
  H      -4.789814    -10.574751      7.781109
  H      -3.238775    -10.739797      8.670180
  H      -5.347323     -8.438095      6.619908
  H      -5.001694     -5.982554      6.487352
  N      -4.552008     -2.526980      4.865413
  H      -5.402096     -1.982506      4.703558
  H      -3.882547     -1.911060      5.332119
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104792481053
  N      -3.467051     -3.483737      2.043117
  C      -3.035441     -4.420671      1.002022
  C      -2.588721     -5.729384      1.640771
  N      -3.511366     -6.108331      2.737137
  C      -4.788170     -6.674324      2.240123
  C      -5.887339     -6.474024      3.277376
  N      -5.810031     -5.117986      3.816724
  Mo     -4.033306     -4.210684      3.795189
  N      -2.562432     -4.860440      4.974743
  C      -1.935088     -6.139428      4.636580
  C      -2.866384     -6.965650      3.760048
  H      -1.716386     -6.741130      5.534461
  H      -0.963852     -5.984882      4.122909
  H      -3.666949     -7.378132      4.387474
  H      -2.328479     -7.808402      3.287561
  H      -6.855788     -6.662261      2.780322
  H      -5.804404     -7.237628      4.077285
  H      -5.050488     -6.117611      1.329573
  H      -4.665908     -7.740710      1.974269
  H      -2.180678     -4.025001      0.428352
  H      -3.844820     -4.604563      0.267041
  H      -1.598998     -5.580048      2.091474
  H      -2.511598     -6.540127      0.892828
  C      -3.721134     -1.744933      0.247823
  C      -3.394839     -2.054716      1.711329
  C      -2.045585     -1.416933      2.169696
  C      -0.813836     -2.132051      1.697604
  C      -0.273094     -3.176789      2.465130
  C       0.831703     -3.897875      2.018661
  C       1.434784     -3.593747      0.790198
  C       2.621399     -4.361265      0.314291
  Cl      4.191810     -3.618583      0.903415
  C       0.910668     -2.540483      0.027697
  C      -0.195375     -1.820587      0.476446
  C      -7.869546     -5.438329      5.202678
  C      -7.074680     -4.530615      4.258455
  C      -7.928444     -4.073490      3.040088
  C      -9.114050     -3.239141      3.432725
  C     -10.408134     -3.777911      3.484704
  C     -11.492671     -3.007817      3.900537
  C     -11.314734     -1.670489      4.279033
  C     -12.472025     -0.846979      4.732098
  Cl    -12.716445     -0.963036      6.547220
  C     -10.024449     -1.124084      4.225751
  C      -8.943606     -1.896610      3.808174
  C      -0.579236     -4.408772      6.450066
  C      -2.072732     -4.191143      6.185348
  C      -2.948321     -4.528911      7.437367
  C      -3.181412     -5.996590      7.635420
  C      -2.289564     -6.805715      8.356604
  C      -2.469201     -8.186680      8.426301
  C      -3.556045     -8.798276      7.785922
  C      -3.724624    -10.278396      7.816511
  Cl     -2.959065    -11.065501      6.342193
  C      -4.474874     -7.989960      7.102505
  C      -4.289765     -6.611949      7.029779
  H      -4.685618     -2.191865     -0.033752
  H      -3.795235     -0.656999      0.106795
  H      -2.955476     -2.119820     -0.446202
  H      -4.158658     -1.561612      2.332058
  H      -2.031358     -0.366514      1.836513
  H      -2.058843     -1.416589      3.270456
  H      -0.747911     -3.435143      3.414187
  H       1.239321     -4.706599      2.630935
  H       2.701868     -4.367654     -0.778095
  H       2.632291     -5.387922      0.696119
  H       1.380439     -2.281720     -0.924223
  H      -0.589975     -1.001877     -0.129652
  H      -8.765991     -4.918643      5.568255
  H      -8.199565     -6.359145      4.698536
  H      -7.258549     -5.720619      6.071609
  H      -6.810682     -3.622122      4.821351
  H      -7.259257     -3.495858      2.383316
  H      -8.265868     -4.958144      2.476252
  H     -10.564155     -4.818853      3.191641
  H     -12.492661     -3.447007      3.933127
  H     -12.327219      0.220317      4.533122
  H     -13.418549     -1.184052      4.296021
  H      -9.870769     -0.081404      4.513967
  H      -7.946322     -1.451071      3.762594
  H      -0.255163     -3.769882      7.283983
  H       0.019358     -4.142719      5.567023
  H      -0.349537     -5.449464      6.717099
  H      -2.211024     -3.108979      6.029522
  H      -3.914105     -4.024432      7.287290
  H      -2.467452     -4.086535      8.324660
  H      -1.438238     -6.346926      8.864701
  H      -1.755398     -8.802752      8.978341
  H      -4.776261    -10.582612      7.781981
  H      -3.227197    -10.740401      8.675813
  H      -5.338046     -8.450647      6.614997
  H      -5.001329     -5.993805      6.479081
  N      -4.553925     -2.522561      4.858475
  H      -5.405410     -1.980329      4.696585
  H      -3.883407     -1.903275      5.319144
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104792861038
  N      -3.465798     -3.478938      2.035810
  C      -3.036271     -4.417157      0.994967
  C      -2.591337     -5.726406      1.633741
  N      -3.513339     -6.103699      2.731171
  C      -4.791358     -6.668539      2.235972
  C      -5.889001     -6.467030      3.274506
  N      -5.810744     -5.110533      3.812665
  Mo     -4.033437     -4.204412      3.788382
  N      -2.565310     -4.855989      4.969647
  C      -1.937215     -6.134604      4.630907
  C      -2.868030     -6.960939      3.754011
  H      -1.718190     -6.736367      5.528629
  H      -0.966081     -5.979132      4.117338
  H      -3.668493     -7.374037      4.381151
  H      -2.329668     -7.803262      3.281254
  H      -6.858266     -6.655491      2.779129
  H      -5.805024     -7.229865      4.075081
  H      -5.054136     -6.111738      1.325591
  H      -4.670414     -7.735127      1.970223
  H      -2.181222     -4.022939      0.420722
  H      -3.846438     -4.599821      0.260519
  H      -1.600890     -5.578734      2.083405
  H      -2.516438     -6.537609      0.886055
  C      -3.712197     -1.739891      0.239368
  C      -3.389634     -2.050151      1.703625
  C      -2.039596     -1.415415      2.164142
  C      -0.808770     -2.135659      1.697450
  C      -0.274433     -3.180949      2.468700
  C       0.829836     -3.906176      2.027647
  C       1.438689     -3.605993      0.801063
  C       2.624824     -4.378005      0.331234
  Cl      4.195048     -3.640303      0.926876
  C       0.920799     -2.552423      0.034770
  C      -0.184675     -1.828272      0.478137
  C      -7.866220     -5.431411      5.204496
  C      -7.074597     -4.523757      4.257542
  C      -7.932019     -4.068007      3.041183
  C      -9.119054     -3.237106      3.436971
  C     -10.411343     -3.779904      3.491981
  C     -11.497169     -3.013470      3.911131
  C     -11.322372     -1.675829      4.290006
  C     -12.480946     -0.856221      4.746887
  Cl    -12.719751     -0.974094      6.562579
  C     -10.033931     -1.125384      4.233581
  C      -8.951776     -1.894263      3.812705
  C      -0.586277     -4.405397      6.451023
  C      -2.079230     -4.188760      6.182952
  C      -2.958339     -4.530031      7.431345
  C      -3.185164     -5.998593      7.630165
  C      -2.292323     -6.802282      8.356243
  C      -2.466013     -8.183863      8.428120
  C      -3.547825     -8.801646      7.785127
  C      -3.710348    -10.282411      7.818883
  Cl     -2.935757    -11.070306      6.349864
  C      -4.467504     -7.998891      7.096335
  C      -4.288306     -6.620213      7.021375
  H      -4.676846     -2.185115     -0.044356
  H      -3.784162     -0.651808      0.098330
  H      -2.945689     -2.115861     -0.453149
  H      -4.153540     -1.555103      2.322689
  H      -2.020974     -0.365848      1.828487
  H      -2.055868     -1.412190      3.264875
  H      -0.753603     -3.436494      3.416334
  H       1.232737     -4.715157      2.642717
  H       2.710210     -4.385613     -0.760779
  H       2.630418     -5.404386      0.713937
  H       1.394873     -2.296669     -0.915837
  H      -0.574187     -1.009301     -0.130928
  H      -8.761883     -4.911985      5.572326
  H      -8.197266     -6.352732      4.701942
  H      -7.252606     -5.712735      6.071892
  H      -6.809814     -3.614724      4.819194
  H      -7.265644     -3.488399      2.383305
  H      -8.268549     -4.953121      2.477540
  H     -10.564812     -4.821197      3.198785
  H     -12.495712     -3.455778      3.946137
  H     -12.340090      0.211644      4.548092
  H     -13.427666     -1.195997      4.313325
  H      -9.882842     -0.082388      4.522068
  H      -7.955949     -1.445706      3.764677
  H      -0.265019     -3.768597      7.287640
  H       0.014136     -4.135920      5.570243
  H      -0.355826     -5.446559      6.715554
  H      -2.218749     -3.106526      6.029016
  H      -3.925743     -4.030149      7.276280
  H      -2.483643     -4.084360      8.320332
  H      -1.445078     -6.338578      8.866696
  H      -1.751505     -8.795586      8.984080
  H      -4.760611    -10.590960      7.781054
  H      -3.214470    -10.740049      8.681418
  H      -5.326678     -8.464679      6.606595
  H      -5.000278     -6.006397      6.466314
  N      -4.553604     -2.514007      4.848441
  H      -5.406200     -1.973943      4.685228
  H      -3.880470     -1.889326      5.297896
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104793891385
  N      -3.466871     -3.477159      2.032337
  C      -3.038205     -4.415659      0.991351
  C      -2.593493     -5.725140      1.629808
  N      -3.514716     -6.102376      2.727881
  C      -4.793080     -6.667417      2.233745
  C      -5.890037     -6.466074      3.273015
  N      -5.812068     -5.109367      3.810897
  Mo     -4.035119     -4.202733      3.784939
  N      -2.568751     -4.854612      4.967512
  C      -1.938921     -6.132382      4.628168
  C      -2.868464     -6.959318      3.750427
  H      -1.719423     -6.734227      5.525677
  H      -0.967835     -5.975290      4.115026
  H      -3.668558     -7.373874      4.377100
  H      -2.328942     -7.800656      3.277247
  H      -6.859669     -6.654997      2.778573
  H      -5.805078     -7.228603      4.073797
  H      -5.056549     -6.110715      1.323489
  H      -4.672056     -7.733974      1.967871
  H      -2.183385     -4.021687      0.416630
  H      -3.848838     -4.597986      0.257305
  H      -1.602658     -5.577973      2.078802
  H      -2.519401     -6.536430      0.882131
  C      -3.708214     -1.736605      0.236486
  C      -3.388314     -2.048232      1.701019
  C      -2.037987     -1.415674      2.163906
  C      -0.807455     -2.136770      1.697779
  C      -0.274540     -3.183153      2.468568
  C       0.829760     -3.908612      2.027867
  C       1.439990     -3.607681      0.802162
  C       2.626310     -4.379778      0.332882
  Cl      4.196021     -3.643982      0.932083
  C       0.923441     -2.553123      0.036336
  C      -0.181982     -1.828694      0.479348
  C      -7.866033     -5.430770      5.204772
  C      -7.075902     -4.523222      4.256541
  C      -7.934973     -4.068508      3.040897
  C      -9.120678     -3.236153      3.437733
  C     -10.413234     -3.777910      3.496469
  C     -11.497567     -3.009954      3.916711
  C     -11.320925     -1.671816      4.292974
  C     -12.477796     -0.850558      4.751261
  Cl    -12.713043     -0.966417      6.567501
  C     -10.032200     -1.122405      4.232753
  C      -8.951555     -1.892775      3.810790
  C      -0.594823     -4.404146      6.455891
  C      -2.087140     -4.189067      6.183598
  C      -2.970313     -4.533864      7.427920
  C      -3.190043     -6.003369      7.628090
  C      -2.296412     -6.800516      8.360449
  C      -2.463407     -8.182723      8.435458
  C      -3.539173     -8.807824      7.789384
  C      -3.694825    -10.289276      7.827393
  Cl     -2.909360    -11.078447      6.364977
  C      -4.459442     -8.011752      7.093694
  C      -4.286964     -6.632368      7.015597
  H      -4.672898     -2.180610     -0.049050
  H      -3.778869     -0.648352      0.096042
  H      -2.941050     -2.112740     -0.455205
  H      -4.152490     -1.552660      2.319300
  H      -2.017519     -0.365663      1.829725
  H      -2.055717     -1.413707      3.264632
  H      -0.754613     -3.439258      3.415613
  H       1.231672     -4.718408      2.642511
  H       2.713292     -4.385703     -0.759018
  H       2.630712     -5.406788      0.713917
  H       1.398453     -2.296768     -0.913646
  H      -0.570178     -1.008878     -0.129429
  H      -8.761678     -4.911585      5.573032
  H      -8.197080     -6.352680      4.703298
  H      -7.251505     -5.710985      6.071874
  H      -6.811224     -3.613720      4.817497
  H      -7.269329     -3.490129      2.381205
  H      -8.273188     -4.953975      2.478826
  H     -10.568075     -4.819580      3.205338
  H     -12.496374     -3.451420      3.954694
  H     -12.336209      0.216948      4.551051
  H     -13.425746     -1.189736      4.319915
  H      -9.879830     -0.079031      4.519198
  H      -7.955426     -1.445224      3.759718
  H      -0.276958     -3.769061      7.295118
  H       0.007730     -4.131354      5.577574
  H      -0.363397     -5.445587      6.718423
  H      -2.228046     -3.106837      6.031133
  H      -3.939576     -4.039436      7.266920
  H      -2.502947     -4.084175      8.318774
  H      -1.454047     -6.330978      8.873628
  H      -1.748432     -8.789207      8.996538
  H      -4.743466    -10.602785      7.785553
  H      -3.201091    -10.741570      8.693971
  H      -5.313848     -8.483517      6.601337
  H      -4.999186     -6.023855      6.455000
  N      -4.556100     -2.510795      4.842258
  H      -5.409910     -1.972894      4.678193
  H      -3.881633     -1.882243      5.284303
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104794736799
  N      -3.467153     -3.472258      2.025778
  C      -3.040437     -4.411518      0.984684
  C      -2.596735     -5.721588      1.622694
  N      -3.516912     -6.097806      2.721980
  C      -4.796055     -6.662510      2.229477
  C      -5.891715     -6.460709      3.270032
  N      -5.813452     -5.103654      3.807102
  Mo     -4.036389     -4.197410      3.778551
  N      -2.572102     -4.850638      4.962193
  C      -1.940786     -6.127559      4.621981
  C      -2.869570     -6.954918      3.743693
  H      -1.720414     -6.729544      5.519120
  H      -0.969990     -5.968982      4.108786
  H      -3.668965     -7.371007      4.370268
  H      -2.329276     -7.795260      3.269678
  H      -6.861966     -6.650237      2.777065
  H      -5.805441     -7.222687      4.071208
  H      -5.060573     -6.105941      1.319431
  H      -4.675681     -7.729110      1.963514
  H      -2.185647     -4.018630      0.409199
  H      -3.851772     -4.593029      0.251192
  H      -1.605059     -5.575845      2.070291
  H      -2.524733     -6.533050      0.875019
  C      -3.700155     -1.730400      0.229811
  C      -3.384464     -2.043391      1.694963
  C      -2.033413     -1.414468      2.160959
  C      -0.803937     -2.140132      1.699159
  C      -0.276742     -3.187321      2.472791
  C       0.826652     -3.916736      2.036336
  C       1.441545     -3.619247      0.812139
  C       2.626939     -4.395548      0.347463
  Cl      4.196854     -3.664337      0.951771
  C       0.930614     -2.564061      0.043437
  C      -0.173824     -1.835546      0.482221
  C      -7.863806     -5.425679      5.205924
  C      -7.076668     -4.518200      4.255204
  C      -7.939091     -4.064973      3.041406
  C      -9.125092     -3.234233      3.440755
  C     -10.416653     -3.777965      3.503059
  C     -11.501069     -3.011574      3.925932
  C     -11.325535     -1.673063      4.301374
  C     -12.482432     -0.853548      4.762713
  Cl    -12.712645     -0.970094      6.579575
  C     -10.037840     -1.121654      4.237516
  C      -8.957097     -1.890461      3.812916
  C      -0.603859     -4.400929      6.458489
  C      -2.095454     -4.187304      6.181492
  C      -2.983052     -4.536245      7.421160
  C      -3.194316     -6.006871      7.622802
  C      -2.299499     -6.796415      8.361987
  C      -2.458273     -8.179393      8.440096
  C      -3.526825     -8.813007      7.790369
  C      -3.673932    -10.295270      7.832571
  Cl     -2.875932    -11.084547      6.377074
  C      -4.448162     -8.024705      7.087329
  C      -4.283913     -6.644467      7.006114
  H      -4.664903     -2.172476     -0.058492
  H      -3.768567     -0.641955      0.089746
  H      -2.931949     -2.107390     -0.460248
  H      -4.148806     -1.546164      2.311686
  H      -2.008429     -0.364776      1.826111
  H      -2.054282     -1.411508      3.261644
  H      -0.760564     -3.440849      3.418624
  H       1.224176     -4.727045      2.653150
  H       2.717713     -4.402454     -0.744119
  H       2.626703     -5.422322      0.729152
  H       1.409220     -2.310373     -0.905454
  H      -0.557477     -1.015228     -0.128753
  H      -8.758905     -4.906790      5.575937
  H      -8.195539     -6.348166      4.705975
  H      -7.247078     -5.704835      6.071777
  H      -6.811474     -3.608054      4.814897
  H      -7.275881     -3.485806      2.379961
  H      -8.277382     -4.951033      2.480320
  H     -10.570678     -4.819984      3.212763
  H     -12.499049     -3.454648      3.966680
  H     -12.342941      0.214185      4.562258
  H     -13.431020     -1.194051      4.333829
  H      -9.886295     -0.077978      4.523277
  H      -7.961849     -1.441281      3.759183
  H      -0.289644     -3.767723      7.300515
  H       0.001295     -4.124879      5.582980
  H      -0.371759     -5.442709      6.719016
  H      -2.237825     -3.105020      6.031026
  H      -3.954522     -4.048331      7.253594
  H      -2.524045     -4.081966      8.314036
  H      -1.462932     -6.320091      8.878361
  H      -1.742568     -8.779796      9.006753
  H      -4.720511    -10.614950      7.786191
  H      -3.182301    -10.741684      8.703377
  H      -5.296970     -8.503344      6.591944
  H      -4.996702     -6.042115      6.439576
  N      -4.557363     -2.503133      4.832388
  H      -5.412455     -1.967329      4.667873
  H      -3.881217     -1.870014      5.265401
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104795330423
  N      -3.467682     -3.469221      2.023057
  C      -3.042341     -4.408453      0.981452
  C      -2.599008     -5.719193      1.618596
  N      -3.518471     -6.095306      2.718512
  C      -4.797911     -6.659779      2.226605
  C      -5.892907     -6.458288      3.268004
  N      -5.814396     -5.101435      3.805524
  Mo     -4.037512     -4.195132      3.775524
  N      -2.574273     -4.849583      4.959144
  C      -1.941968     -6.125777      4.618046
  C      -2.870390     -6.953106      3.739102
  H      -1.720922     -6.728184      5.514689
  H      -0.971418     -5.966166      4.104737
  H      -3.669165     -7.370462      4.365679
  H      -2.329722     -7.792645      3.264176
  H      -6.863432     -6.647872      2.775637
  H      -5.805958     -7.220498      4.068862
  H      -5.063320     -6.103043      1.316918
  H      -4.677871     -7.726247      1.960056
  H      -2.187668     -4.016180      0.405405
  H      -3.854082     -4.589466      0.248282
  H      -1.606762     -5.574435      2.065213
  H      -2.528223     -6.530338      0.870492
  C      -3.694669     -1.724846      0.228620
  C      -3.381669     -2.040149      1.693813
  C      -2.029912     -1.414708      2.162536
  C      -0.801473     -2.141912      1.700399
  C      -0.275840     -3.190362      2.473380
  C       0.826359     -3.921322      2.036401
  C       1.441426     -3.624205      0.812233
  C       2.625425     -4.402128      0.346722
  Cl      4.196606     -3.673118      0.950630
  C       0.932097     -2.567751      0.044199
  C      -0.171018     -1.837604      0.483520
  C      -7.863609     -5.423556      5.205517
  C      -7.077159     -4.515871      4.254458
  C      -7.940524     -4.062341      3.041589
  C      -9.126493     -3.232055      3.441866
  C     -10.418188     -3.775558      3.502972
  C     -11.502603     -3.009497      3.926497
  C     -11.326938     -1.671582      4.303918
  C     -12.483834     -0.852497      4.766004
  Cl    -12.715177     -0.972648      6.582567
  C     -10.039093     -1.120380      4.241332
  C      -8.958356     -1.888849      3.816013
  C      -0.611319     -4.401723      6.463050
  C      -2.101923     -4.187987      6.181080
  C      -2.994291     -4.538867      7.416375
  C      -3.198829     -6.010207      7.620548
  C      -2.304047     -6.792557      8.367429
  C      -2.455990     -8.176072      8.449415
  C      -3.517479     -8.817499      7.795854
  C      -3.657441    -10.300350      7.842914
  Cl     -2.847445    -11.090883      6.394695
  C      -4.438720     -8.036502      7.084606
  C      -4.281357     -6.655656      6.999604
  H      -4.659994     -2.164410     -0.061563
  H      -3.760445     -0.636136      0.089404
  H      -2.926398     -2.102897     -0.460758
  H      -4.145841     -1.542033      2.310025
  H      -2.002348     -0.364239      1.830360
  H      -2.052033     -1.414425      3.263204
  H      -0.760160     -3.443467      3.419078
  H       1.222494     -4.732625      2.652775
  H       2.715712     -4.408826     -0.744890
  H       2.623949     -5.429002      0.728117
  H       1.411027     -2.314397     -0.904608
  H      -0.553369     -1.016252     -0.126845
  H      -8.758335     -4.904602      5.576377
  H      -8.195945     -6.345806      4.705544
  H      -7.246251     -5.703167      6.070751
  H      -6.811473     -3.605868      4.814195
  H      -7.278119     -3.482738      2.379706
  H      -8.278951     -4.948343      2.480474
  H     -10.572443     -4.817134      3.211265
  H     -12.500636     -3.452519      3.966163
  H     -12.343762      0.215559      4.567747
  H     -13.432281     -1.191778      4.335867
  H      -9.887260     -0.077191      4.528643
  H      -7.963104     -1.439574      3.763518
  H      -0.300002     -3.769757      7.307084
  H      -0.003088     -4.124396      5.590091
  H      -0.380044     -5.443828      6.722937
  H      -2.244186     -3.105540      6.031698
  H      -3.967351     -4.056563      7.241870
  H      -2.543131     -4.079915      8.310860
  H      -1.473155     -6.309978      8.887100
  H      -1.740569     -8.770720      9.022441
  H      -4.702176    -10.625289      7.791987
  H      -3.168489    -10.740992      8.718143
  H      -5.282102     -8.521327      6.586011
  H      -4.993863     -6.059184      6.426520
  N      -4.558477     -2.499645      4.827797
  H      -5.413772     -1.964241      4.662767
  H      -3.881420     -1.864444      5.256457
95
Coordinates from ORCA-job /scratch/magstr/orcajob__5655529-wfYz/orca E -7150.104796267075
  N      -3.467448     -3.467919      2.021306
  C      -3.042594     -4.407255      0.979644
  C      -2.599605     -5.718248      1.616575
  N      -3.519110     -6.094082      2.716614
  C      -4.798631     -6.658303      2.224613
  C      -5.893476     -6.456844      3.266185
  N      -5.814734     -5.100111      3.803775
  Mo     -4.037780     -4.193948      3.773558
  N      -2.574731     -4.849090      4.957008
  C      -1.942444     -6.125141      4.615789
  C      -2.871118     -6.952289      3.736906
  H      -1.721197     -6.727689      5.512292
  H      -0.972022     -5.965523      4.102242
  H      -3.669836     -7.369570      4.363598
  H      -2.330679     -7.791835      3.261749
  H      -6.864051     -6.646490      2.773912
  H      -5.806357     -7.219111      4.066978
  H      -5.064092     -6.101374      1.315067
  H      -4.678870     -7.724758      1.957904
  H      -2.187750     -4.015420      0.403535
  H      -3.854416     -4.587981      0.246503
  H      -1.607206     -5.573930      2.062945
  H      -2.529347     -6.529267      0.868292
  C      -3.692071     -1.722997      0.227007
  C      -3.380126     -2.038877      1.692302
  C      -2.028231     -1.414584      2.162017
  C      -0.800034     -2.142856      1.700860
  C      -0.276045     -3.191716      2.474368
  C       0.825864     -3.923716      2.038420
  C       1.442200     -3.627294      0.814730
  C       2.625721     -4.406485      0.350171
  Cl      4.197348     -3.678605      0.954429
  C       0.934513     -2.570441      0.046156
  C      -0.168288     -1.839214      0.484470
  C      -7.862932     -5.422522      5.205053
  C      -7.077159     -4.514551      4.253671
  C      -7.941315     -4.060815      3.041502
  C      -9.127593     -3.231495      3.442811
  C     -10.419003     -3.775707      3.503711
  C     -11.503695     -3.010645      3.928338
  C     -11.328628     -1.673031      4.307095
  C     -12.485853     -0.855057      4.770278
  Cl    -12.716794     -0.977145      6.586813
  C     -10.041095     -1.121108      4.244714
  C      -8.960075     -1.888602      3.818299
  C      -0.613063     -4.402027      6.462769
  C      -2.103343     -4.187728      6.179458
  C      -2.997006     -4.538367      7.413751
  C      -3.200078     -6.009756      7.619112
  C      -2.305491     -6.790139      8.368266
  C      -2.455748     -8.173773      8.451522
  C      -3.515325     -8.817276      7.796933
  C      -3.653593    -10.300227      7.845581
  Cl     -2.840761    -11.091683      6.399411
  C      -4.436417     -8.038247      7.083301
  C      -4.280723     -6.657294      6.997089
  H      -4.657686     -2.161452     -0.063865
  H      -3.756603     -0.634187      0.088034
  H      -2.923830     -2.101766     -0.462013
  H      -4.144256     -1.540197      2.308144
  H      -1.999576     -0.364125      1.829908
  H      -2.051101     -1.414454      3.262665
  H      -0.761551     -3.444295      3.419596
  H       1.220710     -4.735283      2.655269
  H       2.716540     -4.413795     -0.741389
  H       2.623140     -5.433154      0.732104
  H       1.414563     -2.317636     -0.902229
  H      -0.549361     -1.017480     -0.126178
  H      -8.757390     -4.903739      5.576766
  H      -8.195561     -6.344574      4.704907
  H      -7.244872     -5.702523      6.069659
  H      -6.811038     -3.604692      4.813418
  H      -7.279586     -3.480461      2.379592
  H      -8.279413     -4.946766      2.480101
  H     -10.572862     -4.817071      3.211039
  H     -12.501460     -3.454283      3.967827
  H     -12.346417      0.213281      4.573115
  H     -13.434199     -1.194460      4.340022
  H      -9.889598     -0.078149      4.533026
  H      -7.965146     -1.438581      3.766091
  H      -0.302289     -3.770122      7.307053
  H      -0.003829     -4.125113      5.590401
  H      -0.382608     -5.444228      6.722989
  H      -2.245042     -3.105181      6.030140
  H      -3.970348     -4.057334      7.237368
  H      -2.547516     -4.077982      8.308351
  H      -1.476142     -6.305905      8.888852
  H      -1.740538     -8.766854      9.026421
  H      -4.697881    -10.626428      7.793642
  H      -3.165297    -10.739228      8.721997
  H      -5.278346     -8.524649      6.583793
  H      -4.993067     -6.062367      6.422186
  N      -4.558737     -2.498257      4.825742
  H      -5.414137     -1.962776      4.661513
  H      -3.882009     -1.863319      5.255322
